4-(4-methoxyphenyl)-9-methyl-1,2,3,3a,4,9-hexahydrobenzo[f]isoindole-9a-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)-9-methyl-1,2,3,3a,4,9-hexahydrobenzo[f]isoindole-9a-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)-9-methyl-1,2,3,3a,4,9-hexahydrobenzo[f]isoindole-9a-carboxylic acid CAS Name: 4-(4-methoxyphenyl)-9-methyl-1,2,3,3a,4,9-hexahydrobenzo[f]isoindole-9a-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)-9-methyl-1,2,3,3a,4,9-hexahydrobenzo[f]isoindole-9a-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)-9-methyl-1,2,3,3a,4,9-hexahydrobenz[f]isoindole-9a-carboxylic acid Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2C(C3C1(CNC3)C(=O)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1C2=CC=CC=C2C(C3C1(CNC3)C(=O)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H23NO3/c1-13-16-5-3-4-6-17(16)19(14-7-9-15(25-2)10-8-14)18-11-22-12-21(13,18)20(23)24/h3-10,13,18-19,22H,11-12H2,1-2H3,(H,23,24)