methyl 2-[(2-chlorophenyl)methyl]-3-(3,3-dimethylbutanoyl)-1H-indole-6-carboxylate

Systemtic Name: methyl 2-[(2-chlorophenyl)methyl]-3-(3,3-dimethylbutanoyl)-1H-indole-6-carboxylate Openeye Name: methyl 2-[(2-chlorophenyl)methyl]-3-(3,3-dimethylbutanoyl)-1H-indole-6-carboxylate CAS Name: 2-[(2-chlorophenyl)methyl]-3-(3,3-dimethyl-1-oxobutyl)-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chlorophenyl)methyl]-3-(3,3-dimethylbutanoyl)-1H-indole-6-carboxylate Traditional Name: 2-(2-chlorobenzyl)-3-(3,3-dimethylbutanoyl)-1H-indole-6-carboxylic acid methyl ester Formula: C23H24ClNO3 MolecularWeight: 397.89456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)C1=C(NC2=C1C=CC(=C2)C(=O)OC)CC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)CC(=O)C1=C(NC2=C1C=CC(=C2)C(=O)OC)CC3=CC=CC=C3Cl

InChI

InChI=1S/C23H24ClNO3/c1-23(2,3)13-20(26)21-16-10-9-15(22(27)28-4)12-18(16)25-19(21)11-14-7-5-6-8-17(14)24/h5-10,12,25H,11,13H2,1-4H3