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

Systemtic Name: 3-methyl-4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]ethyl]phenyl]benzoic acid Openeye Name: 4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]ethyl]phenyl]-3-methyl-benzoic acid CAS Name: 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-3-methylbenzoic acid IUPAC Name: 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-3-methylbenzoic acid Traditional Name: 4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]ethyl]phenyl]-3-methyl-benzoic acid Formula: C24H25NO3 MolecularWeight: 375.4602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO3/c1-17-15-21(24(27)28)11-12-22(17)19-9-7-18(8-10-19)13-14-25-16-23(26)20-5-3-2-4-6-20/h2-12,15,23,25-26H,13-14,16H2,1H3,(H,27,28)