[4-[(E)-2-cyano-3-oxidanylidene-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]-2-ethoxy-phenyl] 3-methylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]-2-ethoxy-phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(1,1,3,3-tetramethylbutylamino)prop-1-enyl]-2-ethoxy-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(E)-2-cyano-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]-2-ethoxyphenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-2-cyano-3-keto-3-(1,1,3,3-tetramethylbutylamino)prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC(C)(C)CC(C)(C)C)OC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC(C)(C)CC(C)(C)C)OC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C28H34N2O4/c1-8-33-24-16-20(12-13-23(24)34-26(32)21-11-9-10-19(2)14-21)15-22(17-29)25(31)30-28(6,7)18-27(3,4)5/h9-16H,8,18H2,1-7H3,(H,30,31)/b22-15+