[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-(diisobutylamino)-2-oxo-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-[bis(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methylpropyl)amino]-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-(diisobutylamino)-2-keto-ethyl] ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)COC(=O)C(=CC1=CC=C(C=C1)OC)C#N

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)COC(=O)/C(=C/C1=CC=C(C=C1)OC)/C#N

InChI

InChI=1S/C21H28N2O4/c1-15(2)12-23(13-16(3)4)20(24)14-27-21(25)18(11-22)10-17-6-8-19(26-5)9-7-17/h6-10,15-16H,12-14H2,1-5H3/b18-10+