2-[(E)-heptadec-8-enyl]-4-oxidanylidene-1H-quinazoline-6-carboxylic acid

Systemtic Name: 2-[(E)-heptadec-8-enyl]-4-oxidanylidene-1H-quinazoline-6-carboxylic acid Openeye Name: 2-[(E)-heptadec-8-enyl]-4-oxo-1H-quinazoline-6-carboxylic acid CAS Name: 2-[(E)-heptadec-8-enyl]-4-oxo-1H-quinazoline-6-carboxylic acid IUPAC Name: 2-[(E)-heptadec-8-enyl]-4-oxo-1H-quinazoline-6-carboxylic acid Traditional Name: 2-[(E)-heptadec-8-enyl]-4-keto-1H-quinazoline-6-carboxylic acid Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC1=NC(=O)C2=C(N1)C=CC(=C2)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC1=NC(=O)C2=C(N1)C=CC(=C2)C(=O)O

InChI

InChI=1S/C26H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-27-23-19-18-21(26(30)31)20-22(23)25(29)28-24/h9-10,18-20H,2-8,11-17H2,1H3,(H,30,31)(H,27,28,29)/b10-9+