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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=CC=CC=C2C(C3=CC=CC=C3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

Isomeric SMILES

CC1CCCCN1C2=CC=CC=C2C(C3=CC=CC=C3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

InChI

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