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

Systemtic Name: 2-[4-[4-(4-azanylbutyl)phenyl]-3-methanoyl-2-oxidanylidene-1-(4-phenylbutyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[4-[4-(4-aminobutyl)phenyl]-3-formyl-2-oxo-1-(4-phenylbutyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[4-[4-(4-aminobutyl)phenyl]-3-formyl-2-oxo-1-(4-phenylbutyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[4-[4-(4-aminobutyl)phenyl]-3-formyl-2-oxo-1-(4-phenylbutyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[4-[4-(4-aminobutyl)phenyl]-3-formyl-2-keto-1-(4-phenylbutyl)pyrrolidin-3-yl]acetic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)N1CCCCC2=CC=CC=C2)(CC(=O)O)C=O)C3=CC=C(C=C3)CCCCN

Isomeric SMILES

C1C(C(C(=O)N1CCCCC2=CC=CC=C2)(CC(=O)O)C=O)C3=CC=C(C=C3)CCCCN

InChI

InChI=1S/C27H34N2O4/c28-16-6-4-10-22-12-14-23(15-13-22)24-19-29(26(33)27(24,20-30)18-25(31)32)17-7-5-11-21-8-2-1-3-9-21/h1-3,8-9,12-15,20,24H,4-7,10-11,16-19,28H2,(H,31,32)