4-oxidanylidene-7-[3-(phenylmethoxycarbonylamino)propoxy]quinolizine-3-carboxylic acid

Systemtic Name: 4-oxidanylidene-7-[3-(phenylmethoxycarbonylamino)propoxy]quinolizine-3-carboxylic acid Openeye Name: 7-[3-(benzyloxycarbonylamino)propoxy]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 4-oxo-7-[3-(phenylmethoxycarbonylamino)propoxy]-3-quinolizinecarboxylic acid IUPAC Name: 4-oxo-7-[3-(phenylmethoxycarbonylamino)propoxy]quinolizine-3-carboxylic acid Traditional Name: 7-[3-(benzyloxycarbonylamino)propoxy]-4-keto-quinolizine-3-carboxylic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCOC2=CN3C(=CC=C(C3=O)C(=O)O)C=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCOC2=CN3C(=CC=C(C3=O)C(=O)O)C=C2

InChI

InChI=1S/C21H20N2O6/c24-19-18(20(25)26)10-8-16-7-9-17(13-23(16)19)28-12-4-11-22-21(27)29-14-15-5-2-1-3-6-15/h1-3,5-10,13H,4,11-12,14H2,(H,22,27)(H,25,26)