ethyl 7-methanoyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-methanoyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-[3-(tert-butoxycarbonylamino)propyl]-7-formyl-4-oxo-quinoline-3-carboxylate CAS Name: 7-formyl-1-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-formyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-[3-(tert-butoxycarbonylamino)propyl]-7-formyl-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)C=O)CCCNC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)C=O)CCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C21H26N2O6/c1-5-28-19(26)16-12-23(10-6-9-22-20(27)29-21(2,3)4)17-11-14(13-24)7-8-15(17)18(16)25/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,22,27)