butyl 4-[[1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[1-[2-(4-methylanilino)-2-oxo-ethyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-[2-(4-methylanilino)-2-oxoethyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-[2-keto-2-(p-toluidino)ethyl]isonipecotoyl]amino]benzoic acid butyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C26H33N3O4/c1-3-4-17-33-26(32)21-7-11-23(12-8-21)28-25(31)20-13-15-29(16-14-20)18-24(30)27-22-9-5-19(2)6-10-22/h5-12,20H,3-4,13-18H2,1-2H3,(H,27,30)(H,28,31)