2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 2-(4-tert-butoxycarbonyl-3-methyl-piperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 2-[3-methyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 2-(4-tert-butoxycarbonyl-3-methyl-piperazino)quinoline-3-carboxylic acid Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)OC(C)(C)C)C2=NC3=CC=CC=C3C=C2C(=O)O

Isomeric SMILES

CC1CN(CCN1C(=O)OC(C)(C)C)C2=NC3=CC=CC=C3C=C2C(=O)O

InChI

InChI=1S/C20H25N3O4/c1-13-12-22(9-10-23(13)19(26)27-20(2,3)4)17-15(18(24)25)11-14-7-5-6-8-16(14)21-17/h5-8,11,13H,9-10,12H2,1-4H3,(H,24,25)