3-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]-1H-indole-6-carboxylic acid

Systemtic Name: 3-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]-1H-indole-6-carboxylic acid Openeye Name: 3-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1H-indole-6-carboxylic acid CAS Name: 3-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indole-6-carboxylic acid IUPAC Name: 3-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indole-6-carboxylic acid Traditional Name: 3-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1H-indole-6-carboxylic acid Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=C1C=CC(=C2)C(=O)O)NCC(C3=CC(=CC=C3)Cl)O

Isomeric SMILES

CC(CC1=CNC2=C1C=CC(=C2)C(=O)O)NCC(C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C20H21ClN2O3/c1-12(22-11-19(24)13-3-2-4-16(21)8-13)7-15-10-23-18-9-14(20(25)26)5-6-17(15)18/h2-6,8-10,12,19,22-24H,7,11H2,1H3,(H,25,26)