4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzofuro[2,3-d]pyrimidin-2-yl]benzoic acid

Systemtic Name: 4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzofuro[2,3-d]pyrimidin-2-yl]benzoic acid Openeye Name: 4-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-5,6,7,8-tetrahydrobenzofuro[2,3-d]pyrimidin-2-yl]benzoic acid CAS Name: 4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydrobenzofuro[2,3-d]pyrimidin-2-yl]benzoic acid IUPAC Name: 4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzofuro[2,3-d]pyrimidin-2-yl]benzoic acid Traditional Name: 4-[4-[(3-chloro-4-methoxy-benzyl)amino]-5,6,7,8-tetrahydrobenzofuro[2,3-d]pyrimidin-2-yl]benzoic acid Formula: C25H22ClN3O4 MolecularWeight: 463.91288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C4=C(CCCC4)OC3=NC(=N2)C5=CC=C(C=C5)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C4=C(CCCC4)OC3=NC(=N2)C5=CC=C(C=C5)C(=O)O)Cl

InChI

InChI=1S/C25H22ClN3O4/c1-32-20-11-6-14(12-18(20)26)13-27-23-21-17-4-2-3-5-19(17)33-24(21)29-22(28-23)15-7-9-16(10-8-15)25(30)31/h6-12H,2-5,13H2,1H3,(H,30,31)(H,27,28,29)