[2-[[2-(4-methylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-[[2-(4-methylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-[2-(4-methylphenoxy)anilino]-2-oxo-ethyl] 1-(5-carbamoyl-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-carbamoyl-2-pyridinyl)-4-piperidinecarboxylic acid [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 1-(5-carbamoylpyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-2-pyridyl)isonipecotic acid [2-keto-2-[2-(4-methylphenoxy)anilino]ethyl] ester Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(=O)N

InChI

InChI=1S/C27H28N4O5/c1-18-6-9-21(10-7-18)36-23-5-3-2-4-22(23)30-25(32)17-35-27(34)19-12-14-31(15-13-19)24-11-8-20(16-29-24)26(28)33/h2-11,16,19H,12-15,17H2,1H3,(H2,28,33)(H,30,32)