[1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 2-azanyl-3-chloranyl-benzoate

Systemtic Name: [1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 2-azanyl-3-chloranyl-benzoate Openeye Name: [1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic acid [1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid [2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=C(C(=CC=C3)Cl)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=C(C(=CC=C3)Cl)N

InChI

InChI=1S/C21H24ClN3O3/c1-14(28-21(27)17-6-5-7-18(22)19(17)23)20(26)24-15-8-10-16(11-9-15)25-12-3-2-4-13-25/h5-11,14H,2-4,12-13,23H2,1H3,(H,24,26)