ethyl 1-ethyl-5-methyl-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-ethyl-5-methyl-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-[3-(tert-butoxycarbonylamino)prop-1-ynyl]-1-ethyl-5-methyl-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-5-methyl-6-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]prop-1-ynyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-5-methyl-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]-4-oxoquinoline-3-carboxylate Traditional Name: 6-[3-(tert-butoxycarbonylamino)prop-1-ynyl]-1-ethyl-4-keto-5-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2C)C#CCNC(=O)OC(C)(C)C)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2C)C#CCNC(=O)OC(C)(C)C)C(=O)OCC

InChI

InChI=1S/C23H28N2O5/c1-7-25-14-17(21(27)29-8-2)20(26)19-15(3)16(11-12-18(19)25)10-9-13-24-22(28)30-23(4,5)6/h11-12,14H,7-8,13H2,1-6H3,(H,24,28)