5-[[2-methyl-3-(propanoylamino)phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[2-methyl-3-(propanoylamino)phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-methyl-3-(propanoylamino)anilino]-5-oxo-pentanoic acid CAS Name: 5-[2-methyl-3-(1-oxopropylamino)anilino]-5-oxopentanoic acid IUPAC Name: 5-[2-methyl-3-(propanoylamino)anilino]-5-oxopentanoic acid Traditional Name: 5-keto-5-(2-methyl-3-propionamido-anilino)valeric acid Formula: C15H20N2O4 MolecularWeight: 292.3303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=CC=C1)NC(=O)CCCC(=O)O)C

Isomeric SMILES

CCC(=O)NC1=C(C(=CC=C1)NC(=O)CCCC(=O)O)C

InChI

InChI=1S/C15H20N2O4/c1-3-13(18)16-11-6-4-7-12(10(11)2)17-14(19)8-5-9-15(20)21/h4,6-7H,3,5,8-9H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)