[4-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 3,4,5-triethoxybenzoate

Systemtic Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 3,4,5-triethoxybenzoate Openeye Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [4-[(E)-3-(butylamino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C27H32N2O6 MolecularWeight: 480.55278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2)OCC)OCC)OCC)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2)OCC)OCC)OCC)/C#N

InChI

InChI=1S/C27H32N2O6/c1-5-9-14-29-26(30)21(18-28)15-19-10-12-22(13-11-19)35-27(31)20-16-23(32-6-2)25(34-8-4)24(17-20)33-7-3/h10-13,15-17H,5-9,14H2,1-4H3,(H,29,30)/b21-15+