6-[(2S)-3-(furan-2-ylmethyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2,3-dimethoxy-benzoic acid

Systemtic Name: 6-[(2S)-3-(furan-2-ylmethyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2,3-dimethoxy-benzoic acid Openeye Name: 6-[(2S)-3-(2-furylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2,3-dimethoxy-benzoic acid CAS Name: 6-[(2S)-3-(2-furanylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2,3-dimethoxybenzoic acid IUPAC Name: 6-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2,3-dimethoxybenzoic acid Traditional Name: 6-[(2S)-3-(2-furfuryl)-4-keto-1,2-dihydroquinazolin-2-yl]-2,3-dimethoxy-benzoic acid Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)[C@H]2NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)C(=O)O)OC

InChI

InChI=1S/C22H20N2O6/c1-28-17-10-9-15(18(22(26)27)19(17)29-2)20-23-16-8-4-3-7-14(16)21(25)24(20)12-13-6-5-11-30-13/h3-11,20,23H,12H2,1-2H3,(H,26,27)/t20-/m0/s1