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

Systemtic Name: methyl 1-[(2-chlorophenyl)methyl]-3-(3-methylbutanoyl)-2-(2-methylpropyl)indole-6-carboxylate Openeye Name: methyl 1-[(2-chlorophenyl)methyl]-2-isobutyl-3-(3-methylbutanoyl)indole-6-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-3-(3-methyl-1-oxobutyl)-2-(2-methylpropyl)-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-chlorophenyl)methyl]-3-(3-methylbutanoyl)-2-(2-methylpropyl)indole-6-carboxylate Traditional Name: 1-(2-chlorobenzyl)-2-isobutyl-3-isovaleryl-indole-6-carboxylic acid methyl ester Formula: C26H30ClNO3 MolecularWeight: 439.9743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClNO3/c1-16(2)12-23-25(24(29)13-17(3)4)20-11-10-18(26(30)31-5)14-22(20)28(23)15-19-8-6-7-9-21(19)27/h6-11,14,16-17H,12-13,15H2,1-5H3