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20723-81-3 | 2-Furanpropanoic acid, tetrahydro-α-(2-naphthalenylmethyl)-, 2-(diethylamino)ethyl ester, ethanedioate (1:1)
CAS No: 20723-81-3 Catalog No: AG002IXD MDL No:
Product Description
Catalog Number:
AG002IXD
Chemical Name:
2-Furanpropanoic acid, tetrahydro-α-(2-naphthalenylmethyl)-, 2-(diethylamino)ethyl ester, ethanedioate (1:1)
CAS Number:
20723-81-3
Molecular Formula:
C26H35NO7
Molecular Weight:
473.5586
IUPAC Name:
diethyl-[2-[2-(furan-2-ylmethyl)-3-naphthalen-2-ylpropanoyl]oxyethyl]azanium;2-hydroxy-2-oxoacetate
InChI:
InChI=1S/C24H29NO3.C2H2O4/c1-3-25(4-2)13-15-28-24(26)22(18-23-10-7-14-27-23)17-19-11-12-20-8-5-6-9-21(20)16-19;3-1(4)2(5)6/h5-12,14,16,22H,3-4,13,15,17-18H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
MYKHJWCUMJASMK-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCN(CCOC(=O)C(Cc1ccc2c(c1)cccc2)CC1CCCO1)CC
EC Number:
243-988-0
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.21g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
469.534g/mol
Monoisotopic Mass:
469.21g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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