methyl 3-[[6-[(7-chloranylquinolin-2-yl)methoxy]-4-oxidanyl-3,4-dihydro-2H-chromen-3-yl]methyl]benzoate

Systemtic Name: methyl 3-[[6-[(7-chloranylquinolin-2-yl)methoxy]-4-oxidanyl-3,4-dihydro-2H-chromen-3-yl]methyl]benzoate Openeye Name: methyl 3-[[6-[(7-chloro-2-quinolyl)methoxy]-4-hydroxy-chroman-3-yl]methyl]benzoate CAS Name: 3-[[6-[(7-chloro-2-quinolinyl)methoxy]-4-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[6-[(7-chloroquinolin-2-yl)methoxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzoate Traditional Name: 3-[[6-[(7-chloro-2-quinolyl)methoxy]-4-hydroxy-chroman-3-yl]methyl]benzoic acid methyl ester Formula: C28H24ClNO5 MolecularWeight: 489.94686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CC2COC3=C(C2O)C=C(C=C3)OCC4=NC5=C(C=CC(=C5)Cl)C=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CC2COC3=C(C2O)C=C(C=C3)OCC4=NC5=C(C=CC(=C5)Cl)C=C4

InChI

InChI=1S/C28H24ClNO5/c1-33-28(32)19-4-2-3-17(11-19)12-20-15-35-26-10-9-23(14-24(26)27(20)31)34-16-22-8-6-18-5-7-21(29)13-25(18)30-22/h2-11,13-14,20,27,31H,12,15-16H2,1H3