2-[4-[4-(5-azanylpentyl)phenyl]-3-methanoyl-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[4-[4-(5-azanylpentyl)phenyl]-3-methanoyl-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[4-[4-(5-aminopentyl)phenyl]-3-formyl-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[4-[4-(5-aminopentyl)phenyl]-3-formyl-2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[4-[4-(5-aminopentyl)phenyl]-3-formyl-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[4-[4-(5-aminopentyl)phenyl]-3-formyl-2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

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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=C(C=C3)CCCCCN

Isomeric SMILES

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

InChI

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