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

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H26N4O4 MolecularWeight: 386.44484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C(=CC1=CC=C(C=C1)N(C)C)C#N

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)/C(=C/C1=CC=C(C=C1)N(C)C)/C#N

InChI

InChI=1S/C20H26N4O4/c1-14(2)9-10-22-20(27)23-18(25)13-28-19(26)16(12-21)11-15-5-7-17(8-6-15)24(3)4/h5-8,11,14H,9-10,13H2,1-4H3,(H2,22,23,25,27)/b16-11+