2-azanyl-4-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonyl-quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-4-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonyl-quinoline-3-carboxylic acid Openeye Name: 2-amino-4-(3-methyl-4-oxo-2-phenyl-chromene-8-carbonyl)quinoline-3-carboxylic acid CAS Name: 2-amino-4-[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)-oxomethyl]-3-quinolinecarboxylic acid IUPAC Name: 2-amino-4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)quinoline-3-carboxylic acid Traditional Name: 2-amino-4-(4-keto-3-methyl-2-phenyl-chromene-8-carbonyl)quinoline-3-carboxylic acid Formula: C27H18N2O5 MolecularWeight: 450.44222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)C3=C(C(=NC4=CC=CC=C43)N)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)C3=C(C(=NC4=CC=CC=C43)N)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H18N2O5/c1-14-22(30)17-11-7-12-18(25(17)34-24(14)15-8-3-2-4-9-15)23(31)20-16-10-5-6-13-19(16)29-26(28)21(20)27(32)33/h2-13H,1H3,(H2,28,29)(H,32,33)