[4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 3-(4-propan-2-ylphenyl)propanoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 3-(4-propan-2-ylphenyl)propanoate Openeye Name: [4-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-(4-isopropylphenyl)propanoate CAS Name: 3-(4-propan-2-ylphenyl)propanoic acid [4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] 3-(4-propan-2-ylphenyl)propanoate Traditional Name: 3-p-cumenylpropionic acid [4-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4/c1-17(2)21-10-6-19(7-11-21)9-13-25(29)32-23-12-8-20(15-24(23)31-5)14-22(16-27)26(30)28-18(3)4/h6-8,10-12,14-15,17-18H,9,13H2,1-5H3,(H,28,30)/b22-14+