1-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonyl-4-ethyl-indole-3-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonyl-4-ethyl-indole-3-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonyl-4-ethyl-indole-3-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonyl-4-ethyl-3-indolecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonyl-4-ethylindole-3-carboxylic acid Traditional Name: 2-carbethoxy-1-(3,4-dichlorobenzyl)-4-ethyl-indole-3-carboxylic acid Formula: C21H19Cl2NO4 MolecularWeight: 420.28586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)N(C(=C2C(=O)O)C(=O)OCC)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCC1=C2C(=CC=C1)N(C(=C2C(=O)O)C(=O)OCC)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H19Cl2NO4/c1-3-13-6-5-7-16-17(13)18(20(25)26)19(21(27)28-4-2)24(16)11-12-8-9-14(22)15(23)10-12/h5-10H,3-4,11H2,1-2H3,(H,25,26)