3-[[(3-chlorophenyl)methylamino]methyl]-1-ethyl-6-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[[(3-chlorophenyl)methylamino]methyl]-1-ethyl-6-methyl-indole-2-carboxylic acid Openeye Name: 3-[[(3-chlorophenyl)methylamino]methyl]-1-ethyl-6-methyl-indole-2-carboxylic acid CAS Name: 3-[[(3-chlorophenyl)methylamino]methyl]-1-ethyl-6-methyl-2-indolecarboxylic acid IUPAC Name: 3-[[(3-chlorophenyl)methylamino]methyl]-1-ethyl-6-methylindole-2-carboxylic acid Traditional Name: 3-[[(3-chlorobenzyl)amino]methyl]-1-ethyl-6-methyl-indole-2-carboxylic acid Formula: C20H21ClN2O2 MolecularWeight: 356.84594

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C)C(=C1C(=O)O)CNCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C)C(=C1C(=O)O)CNCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H21ClN2O2/c1-3-23-18-9-13(2)7-8-16(18)17(19(23)20(24)25)12-22-11-14-5-4-6-15(21)10-14/h4-10,22H,3,11-12H2,1-2H3,(H,24,25)