3-ethanoyl-2-(2-methoxyphenyl)-4-(3-methylphenyl)-3,3a,4,9-tetrahydro-1H-benzo[f]isoindole-9a-carboxylate

Systemtic Name: 3-ethanoyl-2-(2-methoxyphenyl)-4-(3-methylphenyl)-3,3a,4,9-tetrahydro-1H-benzo[f]isoindole-9a-carboxylate Openeye Name: 3-acetyl-2-(2-methoxyphenyl)-4-(m-tolyl)-3,3a,4,9-tetrahydro-1H-benzo[f]isoindole-9a-carboxylate CAS Name: 3-acetyl-2-(2-methoxyphenyl)-4-(3-methylphenyl)-3,3a,4,9-tetrahydro-1H-benzo[f]isoindole-9a-carboxylate IUPAC Name: 3-acetyl-2-(2-methoxyphenyl)-4-(3-methylphenyl)-3,3a,4,9-tetrahydro-1H-benzo[f]isoindole-9a-carboxylate Traditional Name: 3-acetyl-2-(2-methoxyphenyl)-4-(m-tolyl)-3,3a,4,9-tetrahydro-1H-benz[f]isoindole-9a-carboxylate Formula: C29H28NO4- MolecularWeight: 454.53692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C3C(N(CC3(CC4=CC=CC=C24)C(=O)[O-])C5=CC=CC=C5OC)C(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C2C3C(N(CC3(CC4=CC=CC=C24)C(=O)[O-])C5=CC=CC=C5OC)C(=O)C

InChI

InChI=1S/C29H29NO4/c1-18-9-8-11-20(15-18)25-22-12-5-4-10-21(22)16-29(28(32)33)17-30(27(19(2)31)26(25)29)23-13-6-7-14-24(23)34-3/h4-15,25-27H,16-17H2,1-3H3,(H,32,33)/p-1