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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-(2-ethoxyethanoyl)-2-propyl-indole-6-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)methyl]-3-(2-ethoxyacetyl)-2-propyl-indole-6-carboxylic acid CAS Name: 1-[(2-chlorophenyl)methyl]-3-(2-ethoxy-1-oxoethyl)-2-propyl-6-indolecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-(2-ethoxyacetyl)-2-propylindole-6-carboxylic acid Traditional Name: 1-(2-chlorobenzyl)-3-(2-ethoxyacetyl)-2-propyl-indole-6-carboxylic acid Formula: C23H24ClNO4 MolecularWeight: 413.89396

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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)COCC

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClNO4/c1-3-7-19-22(21(26)14-29-4-2)17-11-10-15(23(27)28)12-20(17)25(19)13-16-8-5-6-9-18(16)24/h5-6,8-12H,3-4,7,13-14H2,1-2H3,(H,27,28)