4-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1H-indole-6-carboxylic acid

Systemtic Name: 4-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1H-indole-6-carboxylic acid Openeye Name: 4-[(2-chlorophenyl)methyl]-2-isobutyl-5-methyl-3-(2-methylpropanoyl)-1H-indole-6-carboxylic acid CAS Name: 4-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methyl-1-oxopropyl)-2-(2-methylpropyl)-1H-indole-6-carboxylic acid IUPAC Name: 4-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1H-indole-6-carboxylic acid Traditional Name: 4-(2-chlorobenzyl)-2-isobutyl-3-isobutyryl-5-methyl-1H-indole-6-carboxylic acid Formula: C25H28ClNO3 MolecularWeight: 425.94772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1C(=O)O)NC(=C2C(=O)C(C)C)CC(C)C)CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=C(C2=C(C=C1C(=O)O)NC(=C2C(=O)C(C)C)CC(C)C)CC3=CC=CC=C3Cl

InChI

InChI=1S/C25H28ClNO3/c1-13(2)10-20-23(24(28)14(3)4)22-17(11-16-8-6-7-9-19(16)26)15(5)18(25(29)30)12-21(22)27-20/h6-9,12-14,27H,10-11H2,1-5H3,(H,29,30)