5-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]-1-ethyl-indole-2-carboxylic acid

Systemtic Name: 5-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]-1-ethyl-indole-2-carboxylic acid Openeye Name: 5-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1-ethyl-indole-2-carboxylic acid CAS Name: 5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1-ethyl-2-indolecarboxylic acid IUPAC Name: 5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1-ethylindole-2-carboxylic acid Traditional Name: 5-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1-ethyl-indole-2-carboxylic acid Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O3/c1-3-25-19-8-7-15(10-17(19)12-20(25)22(27)28)9-14(2)24-13-21(26)16-5-4-6-18(23)11-16/h4-8,10-12,14,21,24,26H,3,9,13H2,1-2H3,(H,27,28)