6-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-8-phenylmethoxy-quinoline-3-carboxylate

Systemtic Name: 6-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-8-phenylmethoxy-quinoline-3-carboxylate Openeye Name: 8-benzyloxy-6-[tert-butoxycarbonyl(butyl)amino]quinoline-3-carboxylate CAS Name: 6-[butyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-phenylmethoxy-3-quinolinecarboxylate IUPAC Name: 6-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-8-phenylmethoxyquinoline-3-carboxylate Traditional Name: 8-benzoxy-6-[tert-butoxycarbonyl(butyl)amino]quinoline-3-carboxylate Formula: C26H29N2O5- MolecularWeight: 449.51886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC2=CC(=CN=C2C(=C1)OCC3=CC=CC=C3)C(=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CCCCN(C1=CC2=CC(=CN=C2C(=C1)OCC3=CC=CC=C3)C(=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C26H30N2O5/c1-5-6-12-28(25(31)33-26(2,3)4)21-14-19-13-20(24(29)30)16-27-23(19)22(15-21)32-17-18-10-8-7-9-11-18/h7-11,13-16H,5-6,12,17H2,1-4H3,(H,29,30)/p-1