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

Systemtic Name: 2-[4-[4-(4-azanylcyclohexyl)phenyl]-3-methanoyl-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[4-[4-(4-aminocyclohexyl)phenyl]-3-formyl-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[4-[4-(4-aminocyclohexyl)phenyl]-3-formyl-2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[4-[4-(4-aminocyclohexyl)phenyl]-3-formyl-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[4-[4-(4-aminocyclohexyl)phenyl]-3-formyl-2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=C(C=C2)C3CN(C(=O)C3(CC(=O)O)C=O)CCCC4=CC=CC=C4)N

Isomeric SMILES

C1CC(CCC1C2=CC=C(C=C2)C3CN(C(=O)C3(CC(=O)O)C=O)CCCC4=CC=CC=C4)N

InChI

InChI=1S/C28H34N2O4/c29-24-14-12-22(13-15-24)21-8-10-23(11-9-21)25-18-30(16-4-7-20-5-2-1-3-6-20)27(34)28(25,19-31)17-26(32)33/h1-3,5-6,8-11,19,22,24-25H,4,7,12-18,29H2,(H,32,33)