methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]-8-phenylmethoxy-quinoline-2-carboxylate

Systemtic Name: methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]-8-phenylmethoxy-quinoline-2-carboxylate Openeye Name: methyl 8-benzyloxy-4-[3-(tert-butoxycarbonylamino)prop-1-ynyl]quinoline-2-carboxylate CAS Name: 4-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]prop-1-ynyl]-8-phenylmethoxy-2-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]-8-phenylmethoxyquinoline-2-carboxylate Traditional Name: 8-benzoxy-4-[3-(tert-butoxycarbonylamino)prop-1-ynyl]quinaldic acid methyl ester Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC#CC1=CC(=NC2=C1C=CC=C2OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCC#CC1=CC(=NC2=C1C=CC=C2OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H26N2O5/c1-26(2,3)33-25(30)27-15-9-12-19-16-21(24(29)31-4)28-23-20(19)13-8-14-22(23)32-17-18-10-6-5-7-11-18/h5-8,10-11,13-14,16H,15,17H2,1-4H3,(H,27,30)