O6-ethyl O3-methyl 2-methyl-7-oxidanylidene-1-(phenylmethyl)-4-prop-2-ynyl-pyrrolo[3,2-b]pyridine-3,6-dicarboxylate

Systemtic Name: O6-ethyl O3-methyl 2-methyl-7-oxidanylidene-1-(phenylmethyl)-4-prop-2-ynyl-pyrrolo[3,2-b]pyridine-3,6-dicarboxylate Openeye Name: O6-ethyl O3-methyl 1-benzyl-2-methyl-7-oxo-4-prop-2-ynyl-pyrrolo[3,2-b]pyridine-3,6-dicarboxylate CAS Name: 2-methyl-7-oxo-1-(phenylmethyl)-4-prop-2-ynylpyrrolo[3,2-b]pyridine-3,6-dicarboxylic acid O6-ethyl ester O3-methyl ester IUPAC Name: 6-O-ethyl 3-O-methyl 1-benzyl-2-methyl-7-oxo-4-prop-2-ynylpyrrolo[3,2-b]pyridine-3,6-dicarboxylate Traditional Name: 1-benzyl-7-keto-2-methyl-4-propargyl-pyrrolo[3,2-b]pyridine-3,6-dicarboxylic acid O6-ethyl ester O3-methyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)N(C(=C2C(=O)OC)C)CC3=CC=CC=C3)CC#C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)N(C(=C2C(=O)OC)C)CC3=CC=CC=C3)CC#C

InChI

InChI=1S/C23H22N2O5/c1-5-12-24-14-17(22(27)30-6-2)21(26)20-19(24)18(23(28)29-4)15(3)25(20)13-16-10-8-7-9-11-16/h1,7-11,14H,6,12-13H2,2-4H3