[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-methylphenyl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (E)-3-(o-tolyl)prop-2-enoate CAS Name: (E)-3-(2-methylphenyl)-2-propenoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(o-tolyl)acrylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C18H20N2O3/c1-14-6-2-3-7-15(14)8-9-17(22)23-12-16(21)20-18(13-19)10-4-5-11-18/h2-3,6-9H,4-5,10-12H2,1H3,(H,20,21)/b9-8+