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

Systemtic Name: [3-[(E)-2-cyano-3-oxidanylidene-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]phenyl] 4-methylbenzoate Openeye Name: [3-[(E)-2-cyano-3-oxo-3-(1,1,3,3-tetramethylbutylamino)prop-1-enyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-[(E)-2-cyano-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-[(E)-2-cyano-3-keto-3-(1,1,3,3-tetramethylbutylamino)prop-1-enyl]phenyl] ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)NC(C)(C)CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)NC(C)(C)CC(C)(C)C

InChI

InChI=1S/C26H30N2O3/c1-18-10-12-20(13-11-18)24(30)31-22-9-7-8-19(15-22)14-21(16-27)23(29)28-26(5,6)17-25(2,3)4/h7-15H,17H2,1-6H3,(H,28,29)/b21-14+