methyl 6-methoxy-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-2-carboxylate

Systemtic Name: methyl 6-methoxy-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-2-carboxylate Openeye Name: methyl 4-(4-tert-butoxycarbonylpiperazin-1-yl)-6-methoxy-quinoline-2-carboxylate CAS Name: 6-methoxy-4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-2-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-methoxy-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-2-carboxylate Traditional Name: 4-(4-tert-butoxycarbonylpiperazino)-6-methoxy-quinaldic acid methyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC3=C2C=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC3=C2C=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C21H27N3O5/c1-21(2,3)29-20(26)24-10-8-23(9-11-24)18-13-17(19(25)28-5)22-16-7-6-14(27-4)12-15(16)18/h6-7,12-13H,8-11H2,1-5H3