3-ethanoyl-2-(2-methoxyphenyl)-4-(3,4,5-trimethylphenyl)-3,3a,4,9-tetrahydro-1H-benzo[f]isoindole-9a-carboxylic acid

Systemtic Name: 3-ethanoyl-2-(2-methoxyphenyl)-4-(3,4,5-trimethylphenyl)-3,3a,4,9-tetrahydro-1H-benzo[f]isoindole-9a-carboxylic acid Openeye Name: 3-acetyl-2-(2-methoxyphenyl)-4-(3,4,5-trimethylphenyl)-3,3a,4,9-tetrahydro-1H-benzo[f]isoindole-9a-carboxylic acid CAS Name: 3-acetyl-2-(2-methoxyphenyl)-4-(3,4,5-trimethylphenyl)-3,3a,4,9-tetrahydro-1H-benzo[f]isoindole-9a-carboxylic acid IUPAC Name: 3-acetyl-2-(2-methoxyphenyl)-4-(3,4,5-trimethylphenyl)-3,3a,4,9-tetrahydro-1H-benzo[f]isoindole-9a-carboxylic acid Traditional Name: 3-acetyl-2-(2-methoxyphenyl)-4-(3,4,5-trimethylphenyl)-3,3a,4,9-tetrahydro-1H-benz[f]isoindole-9a-carboxylic acid Formula: C31H33NO4 MolecularWeight: 483.59802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)C)C2C3C(N(CC3(CC4=CC=CC=C24)C(=O)O)C5=CC=CC=C5OC)C(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1C)C)C2C3C(N(CC3(CC4=CC=CC=C24)C(=O)O)C5=CC=CC=C5OC)C(=O)C

InChI

InChI=1S/C31H33NO4/c1-18-14-23(15-19(2)20(18)3)27-24-11-7-6-10-22(24)16-31(30(34)35)17-32(29(21(4)33)28(27)31)25-12-8-9-13-26(25)36-5/h6-15,27-29H,16-17H2,1-5H3,(H,34,35)