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

Systemtic Name: methyl 1-[(2-chlorophenyl)methyl]-3-(3,3-dimethylbutanoyl)indole-6-carboxylate Openeye Name: methyl 1-[(2-chlorophenyl)methyl]-3-(3,3-dimethylbutanoyl)indole-6-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-3-(3,3-dimethyl-1-oxobutyl)-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-chlorophenyl)methyl]-3-(3,3-dimethylbutanoyl)indole-6-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3-(3,3-dimethylbutanoyl)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=CN(C2=C1C=CC(=C2)C(=O)OC)CC3=CC=CC=C3Cl

Isomeric SMILES

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

InChI

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