7-(4-azanyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloranyl-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(4-azanyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloranyl-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-amino-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloro-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-amino-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloro-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-amino-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-amino-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloro-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C(=C(C=C2)N3CC4CC=CC(C4C3)N)Cl)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C(=C(C=C2)N3CC4CC=CC(C4C3)N)Cl)C(=O)O

InChI

InChI=1S/C20H22ClN3O3/c1-2-23-10-14(20(26)27)19(25)12-6-7-16(17(21)18(12)23)24-8-11-4-3-5-15(22)13(11)9-24/h3,5-7,10-11,13,15H,2,4,8-9,22H2,1H3,(H,26,27)