4-[2-(3-chlorophenyl)-2-oxidanyl-1-(propan-2-ylamino)ethyl]benzoic acid

Systemtic Name: 4-[2-(3-chlorophenyl)-2-oxidanyl-1-(propan-2-ylamino)ethyl]benzoic acid Openeye Name: 4-[2-(3-chlorophenyl)-2-hydroxy-1-(isopropylamino)ethyl]benzoic acid CAS Name: 4-[2-(3-chlorophenyl)-2-hydroxy-1-(propan-2-ylamino)ethyl]benzoic acid IUPAC Name: 4-[2-(3-chlorophenyl)-2-hydroxy-1-(propan-2-ylamino)ethyl]benzoic acid Traditional Name: 4-[2-(3-chlorophenyl)-2-hydroxy-1-(isopropylamino)ethyl]benzoic acid Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(C1=CC=C(C=C1)C(=O)O)C(C2=CC(=CC=C2)Cl)O

Isomeric SMILES

CC(C)NC(C1=CC=C(C=C1)C(=O)O)C(C2=CC(=CC=C2)Cl)O

InChI

InChI=1S/C18H20ClNO3/c1-11(2)20-16(12-6-8-13(9-7-12)18(22)23)17(21)14-4-3-5-15(19)10-14/h3-11,16-17,20-21H,1-2H3,(H,22,23)