ethyl 5-bromanyl-2-ethoxycarbonyloxy-3-[(Z,3E)-2-ethoxycarbonyloxy-3-(phenylmethylidene)pent-1-enyl]indole-1-carboxylate

Systemtic Name: ethyl 5-bromanyl-2-ethoxycarbonyloxy-3-[(Z,3E)-2-ethoxycarbonyloxy-3-(phenylmethylidene)pent-1-enyl]indole-1-carboxylate Openeye Name: ethyl 3-[(Z,3E)-3-benzylidene-2-ethoxycarbonyloxy-pent-1-enyl]-5-bromo-2-ethoxycarbonyloxy-indole-1-carboxylate CAS Name: 5-bromo-2-ethoxycarbonyloxy-3-[(Z,3E)-2-ethoxycarbonyloxy-3-(phenylmethylene)pent-1-enyl]-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(Z,3E)-3-benzylidene-2-ethoxycarbonyloxypent-1-enyl]-5-bromo-2-ethoxycarbonyloxyindole-1-carboxylate Traditional Name: 5-bromo-2-carbethoxyoxy-3-[(1Z,3E)-2-carbethoxyoxy-3-ethyl-4-phenyl-buta-1,3-dienyl]indole-1-carboxylic acid ethyl ester Formula: C29H30BrNO8 MolecularWeight: 600.4544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC=CC=C1)C(=CC2=C(N(C3=C2C=C(C=C3)Br)C(=O)OCC)OC(=O)OCC)OC(=O)OCC

Isomeric SMILES

CC/C(=C\C1=CC=CC=C1)/C(=C/C2=C(N(C3=C2C=C(C=C3)Br)C(=O)OCC)OC(=O)OCC)/OC(=O)OCC

InChI

InChI=1S/C29H30BrNO8/c1-5-20(16-19-12-10-9-11-13-19)25(38-28(33)36-7-3)18-23-22-17-21(30)14-15-24(22)31(27(32)35-6-2)26(23)39-29(34)37-8-4/h9-18H,5-8H2,1-4H3/b20-16+,25-18-