methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-propyl-amino]-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-propyl-amino]-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-[tert-butoxycarbonyl(propyl)amino]-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-propylamino]-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-[tert-butoxycarbonyl(propyl)amino]-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C28H34N2O8 MolecularWeight: 526.57816

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)OC(C)(C)C)N1C(=C(C2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC

Isomeric SMILES

CCCN(C(=O)OC(C)(C)C)N1C(=C(C2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC

InChI

InChI=1S/C28H34N2O8/c1-9-14-29(27(33)38-28(2,3)4)30-23(26(32)37-8)22(18-12-10-11-13-19(18)25(30)31)17-15-20(34-5)24(36-7)21(16-17)35-6/h10-13,15-16H,9,14H2,1-8H3