O3-ethyl O6-(phenylmethyl) 5-[2-azanylethanoyl(phenyl)amino]-4-oxidanylidene-1H-cinnoline-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-(phenylmethyl) 5-[2-azanylethanoyl(phenyl)amino]-4-oxidanylidene-1H-cinnoline-3,6-dicarboxylate Openeye Name: O6-benzyl O3-ethyl 5-(N-(2-aminoacetyl)anilino)-4-oxo-1H-cinnoline-3,6-dicarboxylate CAS Name: 5-(N-(2-amino-1-oxoethyl)anilino)-4-oxo-1H-cinnoline-3,6-dicarboxylic acid O3-ethyl ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 3-O-ethyl 5-(N-(2-aminoacetyl)anilino)-4-oxo-1H-cinnoline-3,6-dicarboxylate Traditional Name: 5-(N-glycylanilino)-4-keto-1H-cinnoline-3,6-dicarboxylic acid O6-benzyl ester O3-ethyl ester Formula: C27H24N4O6 MolecularWeight: 500.50266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC2=C(C1=O)C(=C(C=C2)C(=O)OCC3=CC=CC=C3)N(C4=CC=CC=C4)C(=O)CN

Isomeric SMILES

CCOC(=O)C1=NNC2=C(C1=O)C(=C(C=C2)C(=O)OCC3=CC=CC=C3)N(C4=CC=CC=C4)C(=O)CN

InChI

InChI=1S/C27H24N4O6/c1-2-36-27(35)23-25(33)22-20(29-30-23)14-13-19(26(34)37-16-17-9-5-3-6-10-17)24(22)31(21(32)15-28)18-11-7-4-8-12-18/h3-14H,2,15-16,28H2,1H3,(H,29,33)