methyl 4-[ethanoyl(phenylmethoxy)amino]-1-(2-thiophen-3-ylethyl)piperidine-4-carboxylate

Systemtic Name: methyl 4-[ethanoyl(phenylmethoxy)amino]-1-(2-thiophen-3-ylethyl)piperidine-4-carboxylate Openeye Name: methyl 4-[acetyl(benzyloxy)amino]-1-[2-(3-thienyl)ethyl]piperidine-4-carboxylate CAS Name: 4-[acetyl(phenylmethoxy)amino]-1-[2-(3-thiophenyl)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[acetyl(phenylmethoxy)amino]-1-(2-thiophen-3-ylethyl)piperidine-4-carboxylate Traditional Name: 4-[acetyl(benzoxy)amino]-1-[2-(3-thienyl)ethyl]isonipecotic acid methyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1(CCN(CC1)CCC2=CSC=C2)C(=O)OC)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N(C1(CCN(CC1)CCC2=CSC=C2)C(=O)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S/c1-18(25)24(28-16-19-6-4-3-5-7-19)22(21(26)27-2)10-13-23(14-11-22)12-8-20-9-15-29-17-20/h3-7,9,15,17H,8,10-14,16H2,1-2H3