2-(4-phenylbutyl)-3-[[[4-(4-phenylpiperidin-1-yl)phenyl]carbonylamino]methyl]nonanoic acid

Systemtic Name: 2-(4-phenylbutyl)-3-[[[4-(4-phenylpiperidin-1-yl)phenyl]carbonylamino]methyl]nonanoic acid Openeye Name: 2-(4-phenylbutyl)-3-[[[4-(4-phenyl-1-piperidyl)benzoyl]amino]methyl]nonanoic acid CAS Name: 3-[[[oxo-[4-(4-phenyl-1-piperidinyl)phenyl]methyl]amino]methyl]-2-(4-phenylbutyl)nonanoic acid IUPAC Name: 2-(4-phenylbutyl)-3-[[[4-(4-phenylpiperidin-1-yl)benzoyl]amino]methyl]nonanoic acid Traditional Name: 2-(4-phenylbutyl)-3-[[[4-(4-phenylpiperidino)benzoyl]amino]methyl]pelargonic acid Formula: C38H50N2O3 MolecularWeight: 582.8152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CNC(=O)C1=CC=C(C=C1)N2CCC(CC2)C3=CC=CC=C3)C(CCCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCCCC(CNC(=O)C1=CC=C(C=C1)N2CCC(CC2)C3=CC=CC=C3)C(CCCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C38H50N2O3/c1-2-3-4-9-19-34(36(38(42)43)20-13-12-16-30-14-7-5-8-15-30)29-39-37(41)33-21-23-35(24-22-33)40-27-25-32(26-28-40)31-17-10-6-11-18-31/h5-8,10-11,14-15,17-18,21-24,32,34,36H,2-4,9,12-13,16,19-20,25-29H2,1H3,(H,39,41)(H,42,43)