2-(3,4-dimethoxyphenyl)ethyl 1-[2-(phenylmethoxycarbonylamino)-2-propan-2-ylsulfanyl-ethanoyl]piperidine-2-carboxylate

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl 1-[2-(phenylmethoxycarbonylamino)-2-propan-2-ylsulfanyl-ethanoyl]piperidine-2-carboxylate Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl 1-[2-(benzyloxycarbonylamino)-2-isopropylsulfanyl-acetyl]piperidine-2-carboxylate CAS Name: 1-[1-oxo-2-(phenylmethoxycarbonylamino)-2-(propan-2-ylthio)ethyl]-2-piperidinecarboxylic acid 2-(3,4-dimethoxyphenyl)ethyl ester IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl 1-[2-(phenylmethoxycarbonylamino)-2-propan-2-ylsulfanylacetyl]piperidine-2-carboxylate Traditional Name: 1-[2-(benzyloxycarbonylamino)-2-(isopropylthio)acetyl]pipecolinic acid homoveratryl ester Formula: C29H38N2O7S MolecularWeight: 558.68622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(C(=O)N1CCCCC1C(=O)OCCC2=CC(=C(C=C2)OC)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)SC(C(=O)N1CCCCC1C(=O)OCCC2=CC(=C(C=C2)OC)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H38N2O7S/c1-20(2)39-26(30-29(34)38-19-22-10-6-5-7-11-22)27(32)31-16-9-8-12-23(31)28(33)37-17-15-21-13-14-24(35-3)25(18-21)36-4/h5-7,10-11,13-14,18,20,23,26H,8-9,12,15-17,19H2,1-4H3,(H,30,34)