3-methoxy-4-[4-[3-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]propyl]phenyl]benzoic acid

Systemtic Name: 3-methoxy-4-[4-[3-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]propyl]phenyl]benzoic acid Openeye Name: 4-[4-[3-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]propyl]phenyl]-3-methoxy-benzoic acid CAS Name: 4-[4-[3-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]propyl]phenyl]-3-methoxybenzoic acid IUPAC Name: 4-[4-[3-[(2-hydroxy-2-pyridin-3-ylethyl)amino]propyl]phenyl]-3-methoxybenzoic acid Traditional Name: 4-[4-[3-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]propyl]phenyl]-3-methoxy-benzoic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)CCCNCC(C3=CN=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)CCCNCC(C3=CN=CC=C3)O

InChI

InChI=1S/C24H26N2O4/c1-30-23-14-19(24(28)29)10-11-21(23)18-8-6-17(7-9-18)4-2-12-26-16-22(27)20-5-3-13-25-15-20/h3,5-11,13-15,22,26-27H,2,4,12,16H2,1H3,(H,28,29)