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

Systemtic Name: 4-[(2S)-3-(3-methoxyphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]benzoic acid Openeye Name: 4-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid CAS Name: 4-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid IUPAC Name: 4-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid Traditional Name: 4-[(2S)-4-keto-3-(3-methoxyphenyl)-1,2-dihydroquinazolin-2-yl]benzoic acid Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)N2[C@H](NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H18N2O4/c1-28-17-6-4-5-16(13-17)24-20(14-9-11-15(12-10-14)22(26)27)23-19-8-3-2-7-18(19)21(24)25/h2-13,20,23H,1H3,(H,26,27)/t20-/m0/s1