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

Systemtic Name: methyl 1-[(2-chlorophenyl)methyl]-2-methyl-3-(2-methylpropanoyl)indole-6-carboxylate Openeye Name: methyl 1-[(2-chlorophenyl)methyl]-2-methyl-3-(2-methylpropanoyl)indole-6-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-2-methyl-3-(2-methyl-1-oxopropyl)-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-chlorophenyl)methyl]-2-methyl-3-(2-methylpropanoyl)indole-6-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3-isobutyryl-2-methyl-indole-6-carboxylic acid methyl ester Formula: C22H22ClNO3 MolecularWeight: 383.86798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)OC)C(=O)C(C)C

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)OC)C(=O)C(C)C

InChI

InChI=1S/C22H22ClNO3/c1-13(2)21(25)20-14(3)24(12-16-7-5-6-8-18(16)23)19-11-15(22(26)27-4)9-10-17(19)20/h5-11,13H,12H2,1-4H3