1-[(2-chlorophenyl)methyl]-2-(2-methylpropanoyl)-3-propyl-indole-6-carboxylic acid

Systemtic Name: 1-[(2-chlorophenyl)methyl]-2-(2-methylpropanoyl)-3-propyl-indole-6-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)methyl]-2-(2-methylpropanoyl)-3-propyl-indole-6-carboxylic acid CAS Name: 1-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxopropyl)-3-propyl-6-indolecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)methyl]-2-(2-methylpropanoyl)-3-propylindole-6-carboxylic acid Traditional Name: 1-(2-chlorobenzyl)-2-isobutyryl-3-propyl-indole-6-carboxylic acid Formula: C23H24ClNO3 MolecularWeight: 397.89456

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=C1C=CC(=C2)C(=O)O)CC3=CC=CC=C3Cl)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(N(C2=C1C=CC(=C2)C(=O)O)CC3=CC=CC=C3Cl)C(=O)C(C)C

InChI

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