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

Systemtic Name: 2-[4-[3-(4-azanylbutyl)phenyl]-3-methanoyl-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[4-[3-(4-aminobutyl)phenyl]-3-formyl-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[4-[3-(4-aminobutyl)phenyl]-3-formyl-2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[4-[3-(4-aminobutyl)phenyl]-3-formyl-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[4-[3-(4-aminobutyl)phenyl]-3-formyl-2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)N1CCCC2=CC=CC=C2)(CC(=O)O)C=O)C3=CC(=CC=C3)CCCCN

Isomeric SMILES

C1C(C(C(=O)N1CCCC2=CC=CC=C2)(CC(=O)O)C=O)C3=CC(=CC=C3)CCCCN

InChI

InChI=1S/C26H32N2O4/c27-14-5-4-10-21-11-6-13-22(16-21)23-18-28(15-7-12-20-8-2-1-3-9-20)25(32)26(23,19-29)17-24(30)31/h1-3,6,8-9,11,13,16,19,23H,4-5,7,10,12,14-15,17-18,27H2,(H,30,31)