7-chloranyl-3-(3,5-dimethylphenyl)-4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxy]-2-oxidanylidene-1H-quinoline-6-carboxylic acid

Systemtic Name: 7-chloranyl-3-(3,5-dimethylphenyl)-4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxy]-2-oxidanylidene-1H-quinoline-6-carboxylic acid Openeye Name: 4-[2-(1-tert-butoxycarbonyl-2-piperidyl)ethoxy]-7-chloro-3-(3,5-dimethylphenyl)-2-oxo-1H-quinoline-6-carboxylic acid CAS Name: 7-chloro-3-(3,5-dimethylphenyl)-4-[2-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperidinyl]ethoxy]-2-oxo-1H-quinoline-6-carboxylic acid IUPAC Name: 7-chloro-3-(3,5-dimethylphenyl)-4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethoxy]-2-oxo-1H-quinoline-6-carboxylic acid Traditional Name: 4-[2-(1-tert-butoxycarbonyl-2-piperidyl)ethoxy]-7-chloro-3-(3,5-dimethylphenyl)-2-keto-1H-quinoline-6-carboxylic acid Formula: C30H35ClN2O6 MolecularWeight: 555.0617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)C(=O)O)OCCC4CCCCN4C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)C(=O)O)OCCC4CCCCN4C(=O)OC(C)(C)C)C

InChI

InChI=1S/C30H35ClN2O6/c1-17-12-18(2)14-19(13-17)25-26(22-15-21(28(35)36)23(31)16-24(22)32-27(25)34)38-11-9-20-8-6-7-10-33(20)29(37)39-30(3,4)5/h12-16,20H,6-11H2,1-5H3,(H,32,34)(H,35,36)