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

Systemtic Name: 1-ethanoyl-2-(2-methoxyphenyl)-3,4,9,9a-tetrahydro-1H-benzo[f]isoindole-3a-carboxylate Openeye Name: 1-acetyl-2-(2-methoxyphenyl)-3,4,9,9a-tetrahydro-1H-benzo[f]isoindole-3a-carboxylate CAS Name: 1-acetyl-2-(2-methoxyphenyl)-3,4,9,9a-tetrahydro-1H-benzo[f]isoindole-3a-carboxylate IUPAC Name: 1-acetyl-2-(2-methoxyphenyl)-3,4,9,9a-tetrahydro-1H-benzo[f]isoindole-3a-carboxylate Traditional Name: 1-acetyl-2-(2-methoxyphenyl)-3,4,9,9a-tetrahydro-1H-benz[f]isoindole-3a-carboxylate Formula: C22H22NO4- MolecularWeight: 364.41438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C2CC3=CC=CC=C3CC2(CN1C4=CC=CC=C4OC)C(=O)[O-]

Isomeric SMILES

CC(=O)C1C2CC3=CC=CC=C3CC2(CN1C4=CC=CC=C4OC)C(=O)[O-]

InChI

InChI=1S/C22H23NO4/c1-14(24)20-17-11-15-7-3-4-8-16(15)12-22(17,21(25)26)13-23(20)18-9-5-6-10-19(18)27-2/h3-10,17,20H,11-13H2,1-2H3,(H,25,26)/p-1