4-butoxy-2-(cyclopropylmethyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxidanylidene-isoquinoline-6-carboxylic acid

Systemtic Name: 4-butoxy-2-(cyclopropylmethyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxidanylidene-isoquinoline-6-carboxylic acid Openeye Name: 4-butoxy-3-[(tert-butoxycarbonylamino)methyl]-2-(cyclopropylmethyl)-1-oxo-isoquinoline-6-carboxylic acid CAS Name: 4-butoxy-2-(cyclopropylmethyl)-3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-oxo-6-isoquinolinecarboxylic acid IUPAC Name: 4-butoxy-2-(cyclopropylmethyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxoisoquinoline-6-carboxylic acid Traditional Name: 4-butoxy-3-[(tert-butoxycarbonylamino)methyl]-2-(cyclopropylmethyl)-1-keto-isoquinoline-6-carboxylic acid Formula: C24H32N2O6 MolecularWeight: 444.52068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C(=O)O)CC3CC3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C(=O)O)CC3CC3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C24H32N2O6/c1-5-6-11-31-20-18-12-16(22(28)29)9-10-17(18)21(27)26(14-15-7-8-15)19(20)13-25-23(30)32-24(2,3)4/h9-10,12,15H,5-8,11,13-14H2,1-4H3,(H,25,30)(H,28,29)