2-[4-[4-(4-azanylbutyl)phenyl]-3-methanoyl-2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[4-[4-(4-azanylbutyl)phenyl]-3-methanoyl-2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[4-[4-(4-aminobutyl)phenyl]-1-benzyl-3-formyl-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[4-[4-(4-aminobutyl)phenyl]-3-formyl-2-oxo-1-(phenylmethyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[4-[4-(4-aminobutyl)phenyl]-1-benzyl-3-formyl-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[4-[4-(4-aminobutyl)phenyl]-1-benzyl-3-formyl-2-keto-pyrrolidin-3-yl]acetic acid Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)N1CC2=CC=CC=C2)(CC(=O)O)C=O)C3=CC=C(C=C3)CCCCN

Isomeric SMILES

C1C(C(C(=O)N1CC2=CC=CC=C2)(CC(=O)O)C=O)C3=CC=C(C=C3)CCCCN

InChI

InChI=1S/C24H28N2O4/c25-13-5-4-6-18-9-11-20(12-10-18)21-16-26(15-19-7-2-1-3-8-19)23(30)24(21,17-27)14-22(28)29/h1-3,7-12,17,21H,4-6,13-16,25H2,(H,28,29)