3-(4-chlorophenyl)-5-ethyl-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-(4-chlorophenyl)-5-ethyl-1-methyl-indole-2-carboxylic acid Openeye Name: 3-(4-chlorophenyl)-5-ethyl-1-methyl-indole-2-carboxylic acid CAS Name: 3-(4-chlorophenyl)-5-ethyl-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-(4-chlorophenyl)-5-ethyl-1-methylindole-2-carboxylic acid Traditional Name: 3-(4-chlorophenyl)-5-ethyl-1-methyl-indole-2-carboxylic acid Formula: C18H16ClNO2 MolecularWeight: 313.77814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=C2C3=CC=C(C=C3)Cl)C(=O)O)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=C2C3=CC=C(C=C3)Cl)C(=O)O)C

InChI

InChI=1S/C18H16ClNO2/c1-3-11-4-9-15-14(10-11)16(17(18(21)22)20(15)2)12-5-7-13(19)8-6-12/h4-10H,3H2,1-2H3,(H,21,22)