methyl 3-[(1E,3E)-4-phenylbuta-1,3-dienyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)CCCC2)C=CC=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)CCCC2)/C=C/C=C/C3=CC=CC=C3

InChI

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