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

Systemtic Name: 2-[(2S)-3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]benzoic acid Openeye Name: 2-[(2S)-3-(3-morpholinopropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid CAS Name: 2-[(2S)-3-[3-(4-morpholinyl)propyl]-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid IUPAC Name: 2-[(2S)-3-(3-morpholin-4-ylpropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid Traditional Name: 2-[(2S)-4-keto-3-(3-morpholinopropyl)-1,2-dihydroquinazolin-2-yl]benzoic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN2C(NC3=CC=CC=C3C2=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1COCCN1CCCN2[C@H](NC3=CC=CC=C3C2=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H25N3O4/c26-21-18-8-3-4-9-19(18)23-20(16-6-1-2-7-17(16)22(27)28)25(21)11-5-10-24-12-14-29-15-13-24/h1-4,6-9,20,23H,5,10-15H2,(H,27,28)/t20-/m0/s1