3-[2-methoxy-5-[(1-phenylethylamino)methyl]phenyl]benzoic acid

Systemtic Name: 3-[2-methoxy-5-[(1-phenylethylamino)methyl]phenyl]benzoic acid Openeye Name: 3-[2-methoxy-5-[(1-phenylethylamino)methyl]phenyl]benzoic acid CAS Name: 3-[2-methoxy-5-[(1-phenylethylamino)methyl]phenyl]benzoic acid IUPAC Name: 3-[2-methoxy-5-[(1-phenylethylamino)methyl]phenyl]benzoic acid Traditional Name: 3-[2-methoxy-5-[(1-phenylethylamino)methyl]phenyl]benzoic acid Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCC2=CC(=C(C=C2)OC)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NCC2=CC(=C(C=C2)OC)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C23H23NO3/c1-16(18-7-4-3-5-8-18)24-15-17-11-12-22(27-2)21(13-17)19-9-6-10-20(14-19)23(25)26/h3-14,16,24H,15H2,1-2H3,(H,25,26)