O3-methyl O2-(phenylmethyl) 3-(3-azanylpropyl)-1,4-bis(oxidanylidene)isoquinoline-2,3-dicarboxylate

Systemtic Name: O3-methyl O2-(phenylmethyl) 3-(3-azanylpropyl)-1,4-bis(oxidanylidene)isoquinoline-2,3-dicarboxylate Openeye Name: O2-benzyl O3-methyl 3-(3-aminopropyl)-1,4-dioxo-isoquinoline-2,3-dicarboxylate CAS Name: 3-(3-aminopropyl)-1,4-dioxoisoquinoline-2,3-dicarboxylic acid O3-methyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 3-O-methyl 3-(3-aminopropyl)-1,4-dioxoisoquinoline-2,3-dicarboxylate Traditional Name: 3-(3-aminopropyl)-1,4-diketo-isoquinoline-2,3-dicarboxylic acid O2-benzyl ester O3-methyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(=O)C2=CC=CC=C2C(=O)N1C(=O)OCC3=CC=CC=C3)CCCN

Isomeric SMILES

COC(=O)C1(C(=O)C2=CC=CC=C2C(=O)N1C(=O)OCC3=CC=CC=C3)CCCN

InChI

InChI=1S/C22H22N2O6/c1-29-20(27)22(12-7-13-23)18(25)16-10-5-6-11-17(16)19(26)24(22)21(28)30-14-15-8-3-2-4-9-15/h2-6,8-11H,7,12-14,23H2,1H3