3-methyl-4-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid

Systemtic Name: 3-methyl-4-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]-3-methyl-benzoic acid CAS Name: 4-[2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]-3-methylbenzoic acid IUPAC Name: 4-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-3-methylbenzoic acid Traditional Name: 4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]-3-methyl-benzoic acid Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=CC3=C(C=C2)OC(CC3)CNCC(C4=CN=CC=C4)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=CC3=C(C=C2)OC(CC3)CNCC(C4=CN=CC=C4)O

InChI

InChI=1S/C25H26N2O4/c1-16-11-19(25(29)30)5-8-22(16)17-6-9-24-18(12-17)4-7-21(31-24)14-27-15-23(28)20-3-2-10-26-13-20/h2-3,5-6,8-13,21,23,27-28H,4,7,14-15H2,1H3,(H,29,30)