(2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-[4-(2-ethoxy-7-methoxy-4-oxidanylidene-quinazolin-3-yl)phenyl]propanoic acid

Systemtic Name: (2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-[4-(2-ethoxy-7-methoxy-4-oxidanylidene-quinazolin-3-yl)phenyl]propanoic acid Openeye Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-ethoxy-7-methoxy-4-oxo-quinazolin-3-yl)phenyl]propanoic acid CAS Name: (2S)-2-[[(2,6-dichlorophenyl)-oxomethyl]amino]-3-[4-(2-ethoxy-7-methoxy-4-oxo-3-quinazolinyl)phenyl]propanoic acid IUPAC Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-ethoxy-7-methoxy-4-oxoquinazolin-3-yl)phenyl]propanoic acid Traditional Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-ethoxy-4-keto-7-methoxy-quinazolin-3-yl)phenyl]propionic acid Formula: C27H23Cl2N3O6 MolecularWeight: 556.39402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(C=CC(=C2)OC)C(=O)N1C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl

Isomeric SMILES

CCOC1=NC2=C(C=CC(=C2)OC)C(=O)N1C3=CC=C(C=C3)C[C@@H](C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C27H23Cl2N3O6/c1-3-38-27-31-21-14-17(37-2)11-12-18(21)25(34)32(27)16-9-7-15(8-10-16)13-22(26(35)36)30-24(33)23-19(28)5-4-6-20(23)29/h4-12,14,22H,3,13H2,1-2H3,(H,30,33)(H,35,36)/t22-/m0/s1