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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-(phenylcarbonyl)-2-propyl-indole-6-carboxylic acid Openeye Name: 3-benzoyl-1-[(2-chlorophenyl)methyl]-2-propyl-indole-6-carboxylic acid CAS Name: 3-benzoyl-1-[(2-chlorophenyl)methyl]-2-propyl-6-indolecarboxylic acid IUPAC Name: 3-benzoyl-1-[(2-chlorophenyl)methyl]-2-propylindole-6-carboxylic acid Traditional Name: 3-benzoyl-1-(2-chlorobenzyl)-2-propyl-indole-6-carboxylic acid Formula: C26H22ClNO3 MolecularWeight: 431.91078

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H22ClNO3/c1-2-8-22-24(25(29)17-9-4-3-5-10-17)20-14-13-18(26(30)31)15-23(20)28(22)16-19-11-6-7-12-21(19)27/h3-7,9-15H,2,8,16H2,1H3,(H,30,31)