ethyl 1-[1-[(4-methoxycarbonylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[(4-methoxycarbonylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(4-methoxycarbonylphenyl)methylamino]-1-methyl-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[1-[(4-methoxycarbonylphenyl)methylamino]-1-oxopropan-2-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(4-methoxycarbonylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-carbomethoxybenzyl)amino]-2-keto-1-methyl-ethyl]isonipecotic acid ethyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C)C(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C)C(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H28N2O5/c1-4-27-20(25)17-9-11-22(12-10-17)14(2)18(23)21-13-15-5-7-16(8-6-15)19(24)26-3/h5-8,14,17H,4,9-13H2,1-3H3,(H,21,23)