3-[7-chloranyl-3-(3,5-dimethylphenyl)-2-oxidanylidene-4-(2-piperidin-2-ylethoxy)-1H-quinolin-6-yl]propanoic acid

Systemtic Name: 3-[7-chloranyl-3-(3,5-dimethylphenyl)-2-oxidanylidene-4-(2-piperidin-2-ylethoxy)-1H-quinolin-6-yl]propanoic acid Openeye Name: 3-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-[2-(2-piperidyl)ethoxy]-1H-quinolin-6-yl]propanoic acid CAS Name: 3-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-[2-(2-piperidinyl)ethoxy]-1H-quinolin-6-yl]propanoic acid IUPAC Name: 3-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-(2-piperidin-2-ylethoxy)-1H-quinolin-6-yl]propanoic acid Traditional Name: 3-[7-chloro-3-(3,5-dimethylphenyl)-2-keto-4-[2-(2-piperidyl)ethoxy]-1H-quinolin-6-yl]propionic acid Formula: C27H31ClN2O4 MolecularWeight: 482.99904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)CCC(=O)O)OCCC4CCCCN4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)CCC(=O)O)OCCC4CCCCN4)C

InChI

InChI=1S/C27H31ClN2O4/c1-16-11-17(2)13-19(12-16)25-26(34-10-8-20-5-3-4-9-29-20)21-14-18(6-7-24(31)32)22(28)15-23(21)30-27(25)33/h11-15,20,29H,3-10H2,1-2H3,(H,30,33)(H,31,32)