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

Systemtic Name: tert-butyl 4-[(E)-3-[3-[(4-ethoxycarbonylphenyl)carbamoyl]piperidin-1-yl]-3-oxidanylidene-prop-1-enyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-[3-[(4-ethoxycarbonylphenyl)carbamoyl]-1-piperidyl]-3-oxo-prop-1-enyl]piperidine-1-carboxylate CAS Name: 4-[(E)-3-[3-[(4-ethoxycarbonylanilino)-oxomethyl]-1-piperidinyl]-3-oxoprop-1-enyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-[3-[(4-ethoxycarbonylphenyl)carbamoyl]piperidin-1-yl]-3-oxoprop-1-enyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-3-[3-[(4-carbethoxyphenyl)carbamoyl]piperidino]-3-keto-prop-1-enyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H39N3O6 MolecularWeight: 513.62576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O6/c1-5-36-26(34)21-9-11-23(12-10-21)29-25(33)22-7-6-16-31(19-22)24(32)13-8-20-14-17-30(18-15-20)27(35)37-28(2,3)4/h8-13,20,22H,5-7,14-19H2,1-4H3,(H,29,33)/b13-8+