4-[1-azanyl-3-(2-methyl-6-piperidin-1-yl-phenyl)-1-oxidanylidene-3-phenyl-propan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-(2-methyl-6-piperidin-1-yl-phenyl)-1-oxidanylidene-3-phenyl-propan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[2-methyl-6-(1-piperidyl)phenyl]-2-phenyl-ethyl]benzoic acid CAS Name: 4-[1-amino-3-[2-methyl-6-(1-piperidinyl)phenyl]-1-oxo-3-phenylpropan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(2-methyl-6-piperidin-1-ylphenyl)-1-oxo-3-phenylpropan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(2-methyl-6-piperidino-phenyl)-2-phenyl-ethyl]benzoic acid Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC=CC=C3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC=CC=C3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

InChI

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