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

Systemtic Name: 3-chloranyl-4-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 3-chloro-4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]benzoic acid CAS Name: 3-chloro-4-[2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 3-chloro-4-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 3-chloro-4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]benzoic acid Formula: C24H23ClN2O4 MolecularWeight: 438.90342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C3=C(C=C(C=C3)C(=O)O)Cl)OC1CNCC(C4=CN=CC=C4)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=C(C=C(C=C3)C(=O)O)Cl)OC1CNCC(C4=CN=CC=C4)O

InChI

InChI=1S/C24H23ClN2O4/c25-21-11-17(24(29)30)4-7-20(21)15-5-8-23-16(10-15)3-6-19(31-23)13-27-14-22(28)18-2-1-9-26-12-18/h1-2,4-5,7-12,19,22,27-28H,3,6,13-14H2,(H,29,30)