2-[2-oxidanylidene-1-(3-phenylpropyl)-5-[[(4-piperidin-4-ylphenyl)carbonylamino]methyl]pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-1-(3-phenylpropyl)-5-[[(4-piperidin-4-ylphenyl)carbonylamino]methyl]pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[2-oxo-1-(3-phenylpropyl)-5-[[[4-(4-piperidyl)benzoyl]amino]methyl]pyrrolidin-3-yl]acetic acid CAS Name: 2-[2-oxo-5-[[[oxo-[4-(4-piperidinyl)phenyl]methyl]amino]methyl]-1-(3-phenylpropyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[2-oxo-1-(3-phenylpropyl)-5-[[(4-piperidin-4-ylbenzoyl)amino]methyl]pyrrolidin-3-yl]acetic acid Traditional Name: 2-[2-keto-1-(3-phenylpropyl)-5-[[[4-(4-piperidyl)benzoyl]amino]methyl]pyrrolidin-3-yl]acetic acid Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=CC=C(C=C2)C(=O)NCC3CC(C(=O)N3CCCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1CNCCC1C2=CC=C(C=C2)C(=O)NCC3CC(C(=O)N3CCCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C28H35N3O4/c32-26(33)18-24-17-25(31(28(24)35)16-4-7-20-5-2-1-3-6-20)19-30-27(34)23-10-8-21(9-11-23)22-12-14-29-15-13-22/h1-3,5-6,8-11,22,24-25,29H,4,7,12-19H2,(H,30,34)(H,32,33)