ethyl 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(Z)-3-oxidanylidene-3-phenyl-prop-1-enyl]-4-piperidin-1-ylcarbonyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(Z)-3-oxidanylidene-3-phenyl-prop-1-enyl]-4-piperidin-1-ylcarbonyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-(tert-butoxycarbonylamino)-2-methyl-5-[(Z)-3-oxo-3-phenyl-prop-1-enyl]-4-(piperidine-1-carbonyl)pyrrole-3-carboxylate CAS Name: 2-methyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-[(Z)-3-oxo-3-phenylprop-1-enyl]-4-[oxo(1-piperidinyl)methyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(Z)-3-oxo-3-phenylprop-1-enyl]-4-(piperidine-1-carbonyl)pyrrole-3-carboxylate Traditional Name: 1-(tert-butoxycarbonylamino)-5-[(Z)-3-keto-3-phenyl-prop-1-enyl]-2-methyl-4-(piperidine-1-carbonyl)pyrrole-3-carboxylic acid ethyl ester Formula: C28H35N3O6 MolecularWeight: 509.594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C(=O)N2CCCCC2)C=CC(=O)C3=CC=CC=C3)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C(=O)N2CCCCC2)/C=C\C(=O)C3=CC=CC=C3)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C28H35N3O6/c1-6-36-26(34)23-19(2)31(29-27(35)37-28(3,4)5)21(15-16-22(32)20-13-9-7-10-14-20)24(23)25(33)30-17-11-8-12-18-30/h7,9-10,13-16H,6,8,11-12,17-18H2,1-5H3,(H,29,35)/b16-15-