5-chloranyl-2-[2-[2-[(2-methyl-5-quinolin-8-yl-phenyl)amino]-2-oxidanylidene-ethoxy]ethanoylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-[2-[2-[(2-methyl-5-quinolin-8-yl-phenyl)amino]-2-oxidanylidene-ethoxy]ethanoylamino]benzoic acid Openeye Name: 5-chloro-2-[[2-[2-[2-methyl-5-(8-quinolyl)anilino]-2-oxo-ethoxy]acetyl]amino]benzoic acid CAS Name: 5-chloro-2-[[2-[2-[2-methyl-5-(8-quinolinyl)anilino]-2-oxoethoxy]-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[2-[2-(2-methyl-5-quinolin-8-ylanilino)-2-oxoethoxy]acetyl]amino]benzoic acid Traditional Name: 5-chloro-2-[[2-[2-keto-2-[2-methyl-5-(8-quinolyl)anilino]ethoxy]acetyl]amino]benzoic acid Formula: C27H22ClN3O5 MolecularWeight: 503.93368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=CC3=C2N=CC=C3)NC(=O)COCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=CC3=C2N=CC=C3)NC(=O)COCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C27H22ClN3O5/c1-16-7-8-18(20-6-2-4-17-5-3-11-29-26(17)20)12-23(16)31-25(33)15-36-14-24(32)30-22-10-9-19(28)13-21(22)27(34)35/h2-13H,14-15H2,1H3,(H,30,32)(H,31,33)(H,34,35)