[2-oxidanylidene-2-(pentylamino)ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C(=CC1=CC=C(C=C1)C)C#N

Isomeric SMILES

CCCCCNC(=O)COC(=O)/C(=C/C1=CC=C(C=C1)C)/C#N

InChI

InChI=1S/C18H22N2O3/c1-3-4-5-10-20-17(21)13-23-18(22)16(12-19)11-15-8-6-14(2)7-9-15/h6-9,11H,3-5,10,13H2,1-2H3,(H,20,21)/b16-11+