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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=CC=CC=C2C(C3=CC=CC=C3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

Isomeric SMILES

CC1CCCN(C1)C2=CC=CC=C2C(C3=CC=CC=C3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

InChI

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