tert-butyl 4-[(E)-3-[3-[(2-ethoxycarbonyl-4-phenyl-butyl)carbamoyl]piperidin-1-yl]-3-oxidanylidene-prop-1-enyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-3-[3-[(2-ethoxycarbonyl-4-phenyl-butyl)carbamoyl]piperidin-1-yl]-3-oxidanylidene-prop-1-enyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-[3-[(2-ethoxycarbonyl-4-phenyl-butyl)carbamoyl]-1-piperidyl]-3-oxo-prop-1-enyl]piperidine-1-carboxylate CAS Name: 4-[(E)-3-[3-[[(2-ethoxycarbonyl-4-phenylbutyl)amino]-oxomethyl]-1-piperidinyl]-3-oxoprop-1-enyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-[3-[(2-ethoxycarbonyl-4-phenylbutyl)carbamoyl]piperidin-1-yl]-3-oxoprop-1-enyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-3-[3-[(2-carbethoxy-4-phenyl-butyl)carbamoyl]piperidino]-3-keto-prop-1-enyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C32H47N3O6 MolecularWeight: 569.73208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)CNC(=O)C2CCCN(C2)C(=O)C=CC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)CNC(=O)C2CCCN(C2)C(=O)/C=C/C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H47N3O6/c1-5-40-30(38)26(15-13-24-10-7-6-8-11-24)22-33-29(37)27-12-9-19-35(23-27)28(36)16-14-25-17-20-34(21-18-25)31(39)41-32(2,3)4/h6-8,10-11,14,16,25-27H,5,9,12-13,15,17-23H2,1-4H3,(H,33,37)/b16-14+