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

Systemtic Name: 4-[[[3-methyl-2-(4-oxidanylidenequinazolin-3-yl)pentanoyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[3-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)pentyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(4-ketoquinazolin-3-yl)-3-methyl-pentanoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C22H29N3O4 MolecularWeight: 399.48336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1CCC(CC1)C(=O)O)N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CCC(C)C(C(=O)NCC1CCC(CC1)C(=O)O)N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H29N3O4/c1-3-14(2)19(25-13-24-18-7-5-4-6-17(18)21(25)27)20(26)23-12-15-8-10-16(11-9-15)22(28)29/h4-7,13-16,19H,3,8-12H2,1-2H3,(H,23,26)(H,28,29)