methyl 7a-[(1E,3E)-4-phenylbuta-1,3-dienyl]-4,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: methyl 7a-[(1E,3E)-4-phenylbuta-1,3-dienyl]-4,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: methyl 7a-[(1E,3E)-4-phenylbuta-1,3-dienyl]-4,5,6,7-tetrahydroindole-2-carboxylate CAS Name: 7a-[(1E,3E)-4-phenylbuta-1,3-dienyl]-4,5,6,7-tetrahydroindole-2-carboxylic acid methyl ester IUPAC Name: methyl 7a-[(1E,3E)-4-phenylbuta-1,3-dienyl]-4,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: 7a-[(1E,3E)-4-phenylbuta-1,3-dienyl]-4,5,6,7-tetrahydroindole-2-carboxylic acid methyl ester Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2(CCCCC2=C1)C=CC=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NC2(CCCCC2=C1)/C=C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H21NO2/c1-23-19(22)18-15-17-12-6-8-14-20(17,21-18)13-7-5-11-16-9-3-2-4-10-16/h2-5,7,9-11,13,15H,6,8,12,14H2,1H3/b11-5+,13-7+