4-[(7b-butyl-6-chloranyl-2-oxidanylidene-1,3-dihydrocyclopropa[c]quinolin-1a-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(7b-butyl-6-chloranyl-2-oxidanylidene-1,3-dihydrocyclopropa[c]quinolin-1a-yl)carbonylamino]benzoic acid Openeye Name: 4-[(7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carbonyl)amino]benzoic acid CAS Name: 4-[[(7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinolin-1a-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carbonyl)amino]benzoic acid Traditional Name: 4-[(7b-butyl-6-chloro-2-keto-1,3-dihydrocyclopropa[c]quinoline-1a-carbonyl)amino]benzoic acid Formula: C22H21ClN2O4 MolecularWeight: 412.86614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H21ClN2O4/c1-2-3-10-21-12-22(21,20(29)25-17-9-6-14(23)11-16(17)21)19(28)24-15-7-4-13(5-8-15)18(26)27/h4-9,11H,2-3,10,12H2,1H3,(H,24,28)(H,25,29)(H,26,27)