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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxyphenyl)-2-propenoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-methoxyphenyl)acrylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=CC(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

COC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C18H20N2O4/c1-23-15-6-4-5-14(11-15)7-8-17(22)24-12-16(21)20-18(13-19)9-2-3-10-18/h4-8,11H,2-3,9-10,12H2,1H3,(H,20,21)/b8-7+