(2R)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2R)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]-3-(1H-indol-3-yl)propanoate Openeye Name: (2R)-2-[(6,7-dimethoxyquinazolin-4-yl)ammonio]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[(6,7-dimethoxy-4-quinazolinyl)ammonio]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2R)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[(6,7-dimethoxyquinazolin-4-yl)ammonio]-3-(1H-indol-3-yl)propionate Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)[NH2+]C(CC3=CNC4=CC=CC=C43)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)[NH2+][C@H](CC3=CNC4=CC=CC=C43)C(=O)[O-])OC

InChI

InChI=1S/C21H20N4O4/c1-28-18-8-14-16(9-19(18)29-2)23-11-24-20(14)25-17(21(26)27)7-12-10-22-15-6-4-3-5-13(12)15/h3-6,8-11,17,22H,7H2,1-2H3,(H,26,27)(H,23,24,25)/t17-/m1/s1