2-[3-(9-chloranyl-3-methyl-4-oxidanylidene-[1,2]oxazolo[4,3-c]quinolin-5-yl)cycloheptyl]ethanoic acid

Systemtic Name: 2-[3-(9-chloranyl-3-methyl-4-oxidanylidene-[1,2]oxazolo[4,3-c]quinolin-5-yl)cycloheptyl]ethanoic acid Openeye Name: 2-[3-(9-chloro-3-methyl-4-oxo-isoxazolo[4,3-c]quinolin-5-yl)cycloheptyl]acetic acid CAS Name: 2-[3-(9-chloro-3-methyl-4-oxo-5-isoxazolo[4,3-c]quinolinyl)cycloheptyl]acetic acid IUPAC Name: 2-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cycloheptyl]acetic acid Traditional Name: 2-[3-(9-chloro-4-keto-3-methyl-isoxazolo[4,3-c]quinolin-5-yl)cycloheptyl]acetic acid Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NO1)C3=C(C=CC=C3Cl)N(C2=O)C4CCCCC(C4)CC(=O)O

Isomeric SMILES

CC1=C2C(=NO1)C3=C(C=CC=C3Cl)N(C2=O)C4CCCCC(C4)CC(=O)O

InChI

InChI=1S/C20H21ClN2O4/c1-11-17-19(22-27-11)18-14(21)7-4-8-15(18)23(20(17)26)13-6-3-2-5-12(9-13)10-16(24)25/h4,7-8,12-13H,2-3,5-6,9-10H2,1H3,(H,24,25)