ethyl 1-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(2-ethoxy-2-oxo-ethyl)carbamoyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate CAS Name: 1-[[(2-ethoxy-2-oxoethyl)amino]-oxomethyl]-4-(2-phenoxyethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-ethoxy-2-oxoethyl)carbamoyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate Traditional Name: 1-[(2-ethoxy-2-keto-ethyl)carbamoyl]-4-(2-phenoxyethyl)isonipecotic acid ethyl ester Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCC(CC1)(CCOC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCC(CC1)(CCOC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H30N2O6/c1-3-27-18(24)16-22-20(26)23-13-10-21(11-14-23,19(25)28-4-2)12-15-29-17-8-6-5-7-9-17/h5-9H,3-4,10-16H2,1-2H3,(H,22,26)