7-(7-azanyl-2,3-dihydro-1H-isoindol-5-yl)-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(7-azanyl-2,3-dihydro-1H-isoindol-5-yl)-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(7-aminoisoindolin-5-yl)-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(7-amino-2,3-dihydro-1H-isoindol-5-yl)-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(7-amino-2,3-dihydro-1H-isoindol-5-yl)-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(7-aminoisoindolin-5-yl)-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(CNC5)C(=C4)N

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(CNC5)C(=C4)N

InChI

InChI=1S/C22H21N3O4/c1-29-21-14(11-6-12-8-24-9-16(12)18(23)7-11)4-5-15-19(21)25(13-2-3-13)10-17(20(15)26)22(27)28/h4-7,10,13,24H,2-3,8-9,23H2,1H3,(H,27,28)