4-azanylbenzoic acid; 3-[2-[(2-methyl-1-phenyl-propan-2-yl)amino]-1-oxidanyl-ethyl]phenol

Systemtic Name: 4-azanylbenzoic acid; 3-[2-[(2-methyl-1-phenyl-propan-2-yl)amino]-1-oxidanyl-ethyl]phenol Openeye Name: 4-aminobenzoic acid; 3-[2-[(1,1-dimethyl-2-phenyl-ethyl)amino]-1-hydroxy-ethyl]phenol CAS Name: 4-aminobenzoic acid; 3-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]phenol IUPAC Name: 4-aminobenzoic acid; 3-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]phenol Traditional Name: 4-aminobenzoic acid; 3-[2-[(1,1-dimethyl-2-phenyl-ethyl)amino]-1-hydroxy-ethyl]phenol Formula: C25H30N2O4 MolecularWeight: 422.5167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)NCC(C2=CC(=CC=C2)O)O.C1=CC(=CC=C1C(=O)O)N

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)NCC(C2=CC(=CC=C2)O)O.C1=CC(=CC=C1C(=O)O)N

InChI

InChI=1S/C18H23NO2.C7H7NO2/c1-18(2,12-14-7-4-3-5-8-14)19-13-17(21)15-9-6-10-16(20)11-15;8-6-3-1-5(2-4-6)7(9)10/h3-11,17,19-21H,12-13H2,1-2H3;1-4H,8H2,(H,9,10)