[(1S)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [(1S)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [(1S)-2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [(1S)-2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C28H28ClN3O5 MolecularWeight: 521.99202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)O[C@@H](C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C28H28ClN3O5/c1-18-12-14-31(15-13-18)24-11-9-21(16-25(24)32(35)36)28(34)37-26(20-6-4-3-5-7-20)27(33)30-22-10-8-19(2)23(29)17-22/h3-11,16-18,26H,12-15H2,1-2H3,(H,30,33)/t26-/m0/s1