2-[3-(4-oxidanylidenequinazolin-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[3-(4-oxidanylidenequinazolin-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[3-(4-oxoquinazolin-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[3-(4-oxoquinazolin-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[3-(4-ketoquinazolin-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CCN3C=NC4=CC=CC=C4C3=O)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)CCN3C=NC4=CC=CC=C4C3=O)C(=O)O

InChI

InChI=1S/C21H19N3O4/c25-19(9-10-23-13-22-17-8-4-3-7-16(17)20(23)26)24-12-15-6-2-1-5-14(15)11-18(24)21(27)28/h1-8,13,18H,9-12H2,(H,27,28)