methyl 1-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1-[(E)-3-phenylacryloyl]isonipecotoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H30N2O4/c1-29-22(28)23(14-6-3-7-15-23)24-21(27)19-12-16-25(17-13-19)20(26)11-10-18-8-4-2-5-9-18/h2,4-5,8-11,19H,3,6-7,12-17H2,1H3,(H,24,27)/b11-10+