(3E)-4-(3-methylbutanoylamino)-3-(2-oxidanylidene-2-phenylazanyl-ethylidene)-2,4-dihydro-1H-quinoline-2-carboxylic acid

Systemtic Name: (3E)-4-(3-methylbutanoylamino)-3-(2-oxidanylidene-2-phenylazanyl-ethylidene)-2,4-dihydro-1H-quinoline-2-carboxylic acid Openeye Name: (3E)-3-(2-anilino-2-oxo-ethylidene)-4-(3-methylbutanoylamino)-2,4-dihydro-1H-quinoline-2-carboxylic acid CAS Name: (3E)-3-(2-anilino-2-oxoethylidene)-4-[(3-methyl-1-oxobutyl)amino]-2,4-dihydro-1H-quinoline-2-carboxylic acid IUPAC Name: (3E)-3-(2-anilino-2-oxoethylidene)-4-(3-methylbutanoylamino)-2,4-dihydro-1H-quinoline-2-carboxylic acid Traditional Name: (3E)-3-(2-anilino-2-keto-ethylidene)-4-(isovalerylamino)-2,4-dihydro-1H-quinoline-2-carboxylic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1C2=CC=CC=C2NC(C1=CC(=O)NC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)CC(=O)NC\1C2=CC=CC=C2NC(/C1=C/C(=O)NC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H25N3O4/c1-14(2)12-19(27)26-21-16-10-6-7-11-18(16)25-22(23(29)30)17(21)13-20(28)24-15-8-4-3-5-9-15/h3-11,13-14,21-22,25H,12H2,1-2H3,(H,24,28)(H,26,27)(H,29,30)/b17-13+