methyl 3-[[4-oxidanylidene-7-(quinolin-2-ylmethoxy)-2,3-dihydrochromen-3-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-oxidanylidene-7-(quinolin-2-ylmethoxy)-2,3-dihydrochromen-3-yl]methyl]benzoate Openeye Name: methyl 3-[[4-oxo-7-(2-quinolylmethoxy)chroman-3-yl]methyl]benzoate CAS Name: 3-[[4-oxo-7-(2-quinolinylmethoxy)-3,4-dihydro-2H-1-benzopyran-3-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-oxo-7-(quinolin-2-ylmethoxy)-2,3-dihydrochromen-3-yl]methyl]benzoate Traditional Name: 3-[[4-keto-7-(2-quinolylmethoxy)chroman-3-yl]methyl]benzoic acid methyl ester Formula: C28H23NO5 MolecularWeight: 453.48592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CC2COC3=C(C2=O)C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CC2COC3=C(C2=O)C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H23NO5/c1-32-28(31)20-7-4-5-18(13-20)14-21-16-34-26-15-23(11-12-24(26)27(21)30)33-17-22-10-9-19-6-2-3-8-25(19)29-22/h2-13,15,21H,14,16-17H2,1H3