4-[1-azanyl-3-(4-methyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-3-phenyl-propan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-(4-methyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-3-phenyl-propan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[4-methyl-2-(1-piperidyl)phenyl]-2-phenyl-ethyl]benzoic acid CAS Name: 4-[1-amino-3-[4-methyl-2-(1-piperidinyl)phenyl]-1-oxo-3-phenylpropan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(4-methyl-2-piperidin-1-ylphenyl)-1-oxo-3-phenylpropan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(4-methyl-2-piperidino-phenyl)-2-phenyl-ethyl]benzoic acid Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC=CC=C2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N)N4CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC=CC=C2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N)N4CCCCC4

InChI

InChI=1S/C28H30N2O3/c1-19-10-15-23(24(18-19)30-16-6-3-7-17-30)25(20-8-4-2-5-9-20)26(27(29)31)21-11-13-22(14-12-21)28(32)33/h2,4-5,8-15,18,25-26H,3,6-7,16-17H2,1H3,(H2,29,31)(H,32,33)