methyl 1-[(2-chlorophenyl)methyl]-2-ethanoyl-3-(3-methylbutanoyl)indole-6-carboxylate

Systemtic Name: methyl 1-[(2-chlorophenyl)methyl]-2-ethanoyl-3-(3-methylbutanoyl)indole-6-carboxylate Openeye Name: methyl 2-acetyl-1-[(2-chlorophenyl)methyl]-3-(3-methylbutanoyl)indole-6-carboxylate CAS Name: 2-acetyl-1-[(2-chlorophenyl)methyl]-3-(3-methyl-1-oxobutyl)-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-acetyl-1-[(2-chlorophenyl)methyl]-3-(3-methylbutanoyl)indole-6-carboxylate Traditional Name: 2-acetyl-1-(2-chlorobenzyl)-3-isovaleryl-indole-6-carboxylic acid methyl ester Formula: C24H24ClNO4 MolecularWeight: 425.90466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClNO4/c1-14(2)11-21(28)22-18-10-9-16(24(29)30-4)12-20(18)26(23(22)15(3)27)13-17-7-5-6-8-19(17)25/h5-10,12,14H,11,13H2,1-4H3