methyl 3-[[3-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]indol-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[3-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]indol-1-yl]methyl]benzoate Openeye Name: methyl 3-[[3-[(E)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]indol-1-yl]methyl]benzoate CAS Name: 3-[[3-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-1-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate Traditional Name: 3-[[3-[(E)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]indol-1-yl]methyl]benzoic acid methyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)NC4CCCCC4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)NC4CCCCC4

InChI

InChI=1S/C27H27N3O3/c1-33-27(32)20-9-7-8-19(14-20)17-30-18-22(24-12-5-6-13-25(24)30)15-21(16-28)26(31)29-23-10-3-2-4-11-23/h5-9,12-15,18,23H,2-4,10-11,17H2,1H3,(H,29,31)/b21-15+