[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1-methylpyrrol-2-yl)prop-2-enoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1-methylpyrrol-2-yl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (E)-3-(1-methylpyrrol-2-yl)prop-2-enoate CAS Name: (E)-3-(1-methyl-2-pyrrolyl)-2-propenoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (E)-3-(1-methylpyrrol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1-methylpyrrol-2-yl)acrylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=CC(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CN1C=CC=C1/C=C/C(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C17H21N3O3/c1-20-11-5-6-14(20)7-8-16(22)23-12-15(21)19-17(13-18)9-3-2-4-10-17/h5-8,11H,2-4,9-10,12H2,1H3,(H,19,21)/b8-7+