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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-14(2)11-19(25-13-24-18-6-4-3-5-17(18)21(25)27)20(26)23-12-15-7-9-16(10-8-15)22(28)29/h3-6,13-16,19H,7-12H2,1-2H3,(H,23,26)(H,28,29)