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

Systemtic Name: 2,3-dimethoxy-6-[(2S)-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]benzoic acid Openeye Name: 6-[(2S)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]-2,3-dimethoxy-benzoic acid CAS Name: 2,3-dimethoxy-6-[(2S)-4-oxo-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]benzoic acid IUPAC Name: 6-[(2S)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]-2,3-dimethoxybenzoic acid Traditional Name: 6-[(2S)-3-benzyl-4-keto-1,2-dihydroquinazolin-2-yl]-2,3-dimethoxy-benzoic acid Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)[C@H]2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C(=O)O)OC

InChI

InChI=1S/C24H22N2O5/c1-30-19-13-12-17(20(24(28)29)21(19)31-2)22-25-18-11-7-6-10-16(18)23(27)26(22)14-15-8-4-3-5-9-15/h3-13,22,25H,14H2,1-2H3,(H,28,29)/t22-/m0/s1