[2-(butylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3/c1-4-5-10-20-17(22)13-24-18(23)15(12-19)11-14-6-8-16(9-7-14)21(2)3/h6-9,11H,4-5,10,13H2,1-3H3,(H,20,22)/b15-11+