3-methyl-4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]propyl]phenyl]benzoic acid

Systemtic Name: 3-methyl-4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]propyl]phenyl]benzoic acid Openeye Name: 4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]phenyl]-3-methyl-benzoic acid CAS Name: 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]phenyl]-3-methylbenzoic acid IUPAC Name: 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]phenyl]-3-methylbenzoic acid Traditional Name: 4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]phenyl]-3-methyl-benzoic acid Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)CC(C)NCC(C3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)CC(C)NCC(C3=CC=CC=C3)O

InChI

InChI=1S/C25H27NO3/c1-17-14-22(25(28)29)12-13-23(17)20-10-8-19(9-11-20)15-18(2)26-16-24(27)21-6-4-3-5-7-21/h3-14,18,24,26-27H,15-16H2,1-2H3,(H,28,29)