4-[[[2-(4-oxidanylidenequinazolin-3-yl)-3-phenyl-propanoyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[2-(4-oxidanylidenequinazolin-3-yl)-3-phenyl-propanoyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(4-oxoquinazolin-3-yl)-3-phenyl-propanoyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[1-oxo-2-(4-oxo-3-quinazolinyl)-3-phenylpropyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(4-oxoquinazolin-3-yl)-3-phenylpropanoyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(4-ketoquinazolin-3-yl)-3-phenyl-propanoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)C(CC2=CC=CC=C2)N3C=NC4=CC=CC=C4C3=O)C(=O)O

Isomeric SMILES

C1CC(CCC1CNC(=O)C(CC2=CC=CC=C2)N3C=NC4=CC=CC=C4C3=O)C(=O)O

InChI

InChI=1S/C25H27N3O4/c29-23(26-15-18-10-12-19(13-11-18)25(31)32)22(14-17-6-2-1-3-7-17)28-16-27-21-9-5-4-8-20(21)24(28)30/h1-9,16,18-19,22H,10-15H2,(H,26,29)(H,31,32)