(4-propan-2-yloxyphenyl)methyl 9-(3-methylphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate

Systemtic Name: (4-propan-2-yloxyphenyl)methyl 9-(3-methylphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate Openeye Name: (4-isopropoxyphenyl)methyl 9-(3-methylbenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate CAS Name: 9-[(3-methylphenyl)-oxomethyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (4-propan-2-yloxyphenyl)methyl ester IUPAC Name: (4-propan-2-yloxyphenyl)methyl 9-(3-methylbenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Traditional Name: 9-m-toluoyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (4-isopropoxybenzyl) ester Formula: C31H31NO4 MolecularWeight: 481.58214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2C3=C(CC(CC3)C(=O)OCC4=CC=C(C=C4)OC(C)C)C5=CC=CC=C52

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2C3=C(CC(CC3)C(=O)OCC4=CC=C(C=C4)OC(C)C)C5=CC=CC=C52

InChI

InChI=1S/C31H31NO4/c1-20(2)36-25-14-11-22(12-15-25)19-35-31(34)24-13-16-29-27(18-24)26-9-4-5-10-28(26)32(29)30(33)23-8-6-7-21(3)17-23/h4-12,14-15,17,20,24H,13,16,18-19H2,1-3H3