2-(3-chlorophenyl)-4-(2-hydroxyethylamino)-1-methyl-3-propyl-indole-7-carboxylic acid

Systemtic Name: 2-(3-chlorophenyl)-4-(2-hydroxyethylamino)-1-methyl-3-propyl-indole-7-carboxylic acid Openeye Name: 2-(3-chlorophenyl)-4-(2-hydroxyethylamino)-1-methyl-3-propyl-indole-7-carboxylic acid CAS Name: 2-(3-chlorophenyl)-4-(2-hydroxyethylamino)-1-methyl-3-propyl-7-indolecarboxylic acid IUPAC Name: 2-(3-chlorophenyl)-4-(2-hydroxyethylamino)-1-methyl-3-propylindole-7-carboxylic acid Traditional Name: 2-(3-chlorophenyl)-4-(2-hydroxyethylamino)-1-methyl-3-propyl-indole-7-carboxylic acid Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=C(C=CC(=C12)NCCO)C(=O)O)C)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCC1=C(N(C2=C(C=CC(=C12)NCCO)C(=O)O)C)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H23ClN2O3/c1-3-5-15-18-17(23-10-11-25)9-8-16(21(26)27)20(18)24(2)19(15)13-6-4-7-14(22)12-13/h4,6-9,12,23,25H,3,5,10-11H2,1-2H3,(H,26,27)