(3S)-3-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-(3-methoxy-4-propoxy-phenyl)propanoic acid

Systemtic Name: (3S)-3-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-(3-methoxy-4-propoxy-phenyl)propanoic acid Openeye Name: (3S)-3-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-(3-methoxy-4-propoxy-phenyl)propanoic acid CAS Name: (3S)-3-[(6,7-dimethoxy-4-quinazolinyl)amino]-3-(3-methoxy-4-propoxyphenyl)propanoic acid IUPAC Name: (3S)-3-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-(3-methoxy-4-propoxyphenyl)propanoic acid Traditional Name: (3S)-3-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-(3-methoxy-4-propoxy-phenyl)propionic acid Formula: C23H27N3O6 MolecularWeight: 441.47698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(CC(=O)O)NC2=NC=NC3=CC(=C(C=C32)OC)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@H](CC(=O)O)NC2=NC=NC3=CC(=C(C=C32)OC)OC)OC

InChI

InChI=1S/C23H27N3O6/c1-5-8-32-18-7-6-14(9-19(18)29-2)16(12-22(27)28)26-23-15-10-20(30-3)21(31-4)11-17(15)24-13-25-23/h6-7,9-11,13,16H,5,8,12H2,1-4H3,(H,27,28)(H,24,25,26)/t16-/m0/s1