3-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]-1-methyl-indole-7-carboxylic acid

Systemtic Name: 3-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]-1-methyl-indole-7-carboxylic acid Openeye Name: 3-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1-methyl-indole-7-carboxylic acid CAS Name: 3-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1-methyl-7-indolecarboxylic acid IUPAC Name: 3-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1-methylindole-7-carboxylic acid Traditional Name: 3-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1-methyl-indole-7-carboxylic acid Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN(C2=C1C=CC=C2C(=O)O)C)NCC(C3=CC(=CC=C3)Cl)O

Isomeric SMILES

CC(CC1=CN(C2=C1C=CC=C2C(=O)O)C)NCC(C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C21H23ClN2O3/c1-13(23-11-19(25)14-5-3-6-16(22)10-14)9-15-12-24(2)20-17(15)7-4-8-18(20)21(26)27/h3-8,10,12-13,19,23,25H,9,11H2,1-2H3,(H,26,27)