methyl 2-[7-chloranyl-3-[[(6-methyl-6-oxidanyl-heptan-2-yl)amino]methyl]-2-oxidanylidene-quinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[7-chloranyl-3-[[(6-methyl-6-oxidanyl-heptan-2-yl)amino]methyl]-2-oxidanylidene-quinolin-1-yl]ethanoate Openeye Name: methyl 2-[7-chloro-3-[[(5-hydroxy-1,5-dimethyl-hexyl)amino]methyl]-2-oxo-1-quinolyl]acetate CAS Name: 2-[7-chloro-3-[[(6-hydroxy-6-methylheptan-2-yl)amino]methyl]-2-oxo-1-quinolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[7-chloro-3-[[(6-hydroxy-6-methylheptan-2-yl)amino]methyl]-2-oxoquinolin-1-yl]acetate Traditional Name: 2-[7-chloro-3-[[(5-hydroxy-1,5-dimethyl-hexyl)amino]methyl]-2-keto-1-quinolyl]acetic acid methyl ester Formula: C21H29ClN2O4 MolecularWeight: 408.91896

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)NCC1=CC2=C(C=C(C=C2)Cl)N(C1=O)CC(=O)OC

Isomeric SMILES

CC(CCCC(C)(C)O)NCC1=CC2=C(C=C(C=C2)Cl)N(C1=O)CC(=O)OC

InChI

InChI=1S/C21H29ClN2O4/c1-14(6-5-9-21(2,3)27)23-12-16-10-15-7-8-17(22)11-18(15)24(20(16)26)13-19(25)28-4/h7-8,10-11,14,23,27H,5-6,9,12-13H2,1-4H3