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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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