[1-[(4-methoxycarbonylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

Systemtic Name: [1-[(4-methoxycarbonylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Openeye Name: [2-[(4-methoxycarbonylphenyl)methylamino]-1-methyl-2-oxo-ethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate CAS Name: 1-(1,3-benzoxazol-2-yl)-4-piperidinecarboxylic acid [1-[(4-methoxycarbonylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methoxycarbonylphenyl)methylamino]-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzoxazol-2-yl)isonipecotic acid [2-[(4-carbomethoxybenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C25H27N3O6 MolecularWeight: 465.49838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)OC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)OC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C25H27N3O6/c1-16(22(29)26-15-17-7-9-18(10-8-17)23(30)32-2)33-24(31)19-11-13-28(14-12-19)25-27-20-5-3-4-6-21(20)34-25/h3-10,16,19H,11-15H2,1-2H3,(H,26,29)