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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(1,1,3,3-tetramethylbutylamino)prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-keto-3-(1,1,3,3-tetramethylbutylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O5/c1-26(2,3)17-27(4,5)29-24(30)20(16-28)14-18-8-13-22(23(15-18)33-7)34-25(31)19-9-11-21(32-6)12-10-19/h8-15H,17H2,1-7H3,(H,29,30)/b20-14+