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

Systemtic Name: 3-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]-1H-indole-7-carboxylic acid Openeye Name: 3-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1H-indole-7-carboxylic acid CAS Name: 3-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indole-7-carboxylic acid IUPAC Name: 3-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indole-7-carboxylic acid Traditional Name: 3-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1H-indole-7-carboxylic acid Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=C1C=CC=C2C(=O)O)NCC(C3=CC(=CC=C3)Cl)O

Isomeric SMILES

CC(CC1=CNC2=C1C=CC=C2C(=O)O)NCC(C3=CC(=CC=C3)Cl)O

InChI

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