4-[(2-chlorophenyl)methyl]-3-(2-phenylethanoyl)-2-propyl-1H-indole-6-carboxylic acid

Systemtic Name: 4-[(2-chlorophenyl)methyl]-3-(2-phenylethanoyl)-2-propyl-1H-indole-6-carboxylic acid Openeye Name: 4-[(2-chlorophenyl)methyl]-3-(2-phenylacetyl)-2-propyl-1H-indole-6-carboxylic acid CAS Name: 4-[(2-chlorophenyl)methyl]-3-(1-oxo-2-phenylethyl)-2-propyl-1H-indole-6-carboxylic acid IUPAC Name: 4-[(2-chlorophenyl)methyl]-3-(2-phenylacetyl)-2-propyl-1H-indole-6-carboxylic acid Traditional Name: 4-(2-chlorobenzyl)-3-(2-phenylacetyl)-2-propyl-1H-indole-6-carboxylic acid Formula: C27H24ClNO3 MolecularWeight: 445.93736

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=C(C=C2N1)C(=O)O)CC3=CC=CC=C3Cl)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C2=C(C=C(C=C2N1)C(=O)O)CC3=CC=CC=C3Cl)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H24ClNO3/c1-2-8-22-26(24(30)13-17-9-4-3-5-10-17)25-19(14-18-11-6-7-12-21(18)28)15-20(27(31)32)16-23(25)29-22/h3-7,9-12,15-16,29H,2,8,13-14H2,1H3,(H,31,32)