[4-[(E)-2-cyano-3-(2,3-dihydroindol-1-yl)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 4-propan-2-ylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-(2,3-dihydroindol-1-yl)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 4-propan-2-ylbenzoate Openeye Name: [4-[(E)-2-cyano-3-indolin-1-yl-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [4-[(E)-2-cyano-3-(2,3-dihydroindol-1-yl)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2,3-dihydroindol-1-yl)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [4-[(E)-2-cyano-3-indolin-1-yl-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C30H28N2O4 MolecularWeight: 480.55432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N2CCC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C30H28N2O4/c1-4-35-28-18-21(9-14-27(28)36-30(34)24-12-10-22(11-13-24)20(2)3)17-25(19-31)29(33)32-16-15-23-7-5-6-8-26(23)32/h5-14,17-18,20H,4,15-16H2,1-3H3/b25-17+