4-[1-benzofuran-5-ylmethyl(piperidin-4-yl)amino]-6-chloranyl-1-methyl-2-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 4-[1-benzofuran-5-ylmethyl(piperidin-4-yl)amino]-6-chloranyl-1-methyl-2-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 4-[benzofuran-5-ylmethyl(4-piperidyl)amino]-6-chloro-1-methyl-2-oxo-quinoline-3-carboxylic acid CAS Name: 4-[5-benzofuranylmethyl(4-piperidinyl)amino]-6-chloro-1-methyl-2-oxo-3-quinolinecarboxylic acid IUPAC Name: 4-[1-benzofuran-5-ylmethyl(piperidin-4-yl)amino]-6-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid Traditional Name: 4-[benzofuran-5-ylmethyl(4-piperidyl)amino]-6-chloro-2-keto-1-methyl-quinoline-3-carboxylic acid Formula: C25H24ClN3O4 MolecularWeight: 465.92876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=C(C1=O)C(=O)O)N(CC3=CC4=C(C=C3)OC=C4)C5CCNCC5

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=C(C1=O)C(=O)O)N(CC3=CC4=C(C=C3)OC=C4)C5CCNCC5

InChI

InChI=1S/C25H24ClN3O4/c1-28-20-4-3-17(26)13-19(20)23(22(24(28)30)25(31)32)29(18-6-9-27-10-7-18)14-15-2-5-21-16(12-15)8-11-33-21/h2-5,8,11-13,18,27H,6-7,9-10,14H2,1H3,(H,31,32)