ethyl 3-[(Z)-1-cyano-3-ethoxy-2-(1-ethoxycarbonylindol-3-yl)-3-oxidanylidene-prop-1-enyl]indole-1-carboxylate

Systemtic Name: ethyl 3-[(Z)-1-cyano-3-ethoxy-2-(1-ethoxycarbonylindol-3-yl)-3-oxidanylidene-prop-1-enyl]indole-1-carboxylate Openeye Name: ethyl 3-[(Z)-1-cyano-3-ethoxy-2-(1-ethoxycarbonylindol-3-yl)-3-oxo-prop-1-enyl]indole-1-carboxylate CAS Name: 3-[(Z)-1-cyano-3-ethoxy-2-(1-ethoxycarbonyl-3-indolyl)-3-oxoprop-1-enyl]-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(Z)-1-cyano-3-ethoxy-2-(1-ethoxycarbonylindol-3-yl)-3-oxoprop-1-enyl]indole-1-carboxylate Traditional Name: 3-[(Z)-2-(1-carbethoxyindol-3-yl)-1-cyano-3-ethoxy-3-keto-prop-1-enyl]indole-1-carboxylic acid ethyl ester Formula: C28H25N3O6 MolecularWeight: 499.5146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C#N)C1=CN(C2=CC=CC=C21)C(=O)OCC)C3=CN(C4=CC=CC=C43)C(=O)OCC

Isomeric SMILES

CCOC(=O)/C(=C(\C#N)/C1=CN(C2=CC=CC=C21)C(=O)OCC)/C3=CN(C4=CC=CC=C43)C(=O)OCC

InChI

InChI=1S/C28H25N3O6/c1-4-35-26(32)25(22-17-31(28(34)37-6-3)24-14-10-8-12-19(22)24)20(15-29)21-16-30(27(33)36-5-2)23-13-9-7-11-18(21)23/h7-14,16-17H,4-6H2,1-3H3/b25-20+