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

Systemtic Name: tert-butyl 4-[(E)-3-[3-[(3-methoxycarbonylphenyl)carbamoyl]piperidin-1-yl]-3-oxidanylidene-prop-1-enyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-[3-[(3-methoxycarbonylphenyl)carbamoyl]-1-piperidyl]-3-oxo-prop-1-enyl]piperidine-1-carboxylate CAS Name: 4-[(E)-3-[3-[(3-methoxycarbonylanilino)-oxomethyl]-1-piperidinyl]-3-oxoprop-1-enyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-[3-[(3-methoxycarbonylphenyl)carbamoyl]piperidin-1-yl]-3-oxoprop-1-enyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-3-[3-[(3-carbomethoxyphenyl)carbamoyl]piperidino]-3-keto-prop-1-enyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H37N3O6 MolecularWeight: 499.59918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C=CC(=O)N2CCCC(C2)C(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)/C=C/C(=O)N2CCCC(C2)C(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C27H37N3O6/c1-27(2,3)36-26(34)29-15-12-19(13-16-29)10-11-23(31)30-14-6-8-21(18-30)24(32)28-22-9-5-7-20(17-22)25(33)35-4/h5,7,9-11,17,19,21H,6,8,12-16,18H2,1-4H3,(H,28,32)/b11-10+