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

Systemtic Name: 4-[1-oxidanyl-1-phenyl-2-(propan-2-ylamino)ethyl]benzoic acid Openeye Name: 4-[1-hydroxy-2-(isopropylamino)-1-phenyl-ethyl]benzoic acid CAS Name: 4-[1-hydroxy-1-phenyl-2-(propan-2-ylamino)ethyl]benzoic acid IUPAC Name: 4-[1-hydroxy-1-phenyl-2-(propan-2-ylamino)ethyl]benzoic acid Traditional Name: 4-[1-hydroxy-2-(isopropylamino)-1-phenyl-ethyl]benzoic acid Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(C1=CC=CC=C1)(C2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

CC(C)NCC(C1=CC=CC=C1)(C2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C18H21NO3/c1-13(2)19-12-18(22,15-6-4-3-5-7-15)16-10-8-14(9-11-16)17(20)21/h3-11,13,19,22H,12H2,1-2H3,(H,20,21)