ethyl 5-methyl-4-oxidanylidene-7-phenyl-1-(phenylmethyl)-6-prop-2-enyl-pyrrolo[3,4-b]pyridine-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-7-phenyl-1-(phenylmethyl)-6-prop-2-enyl-pyrrolo[3,4-b]pyridine-3-carboxylate Openeye Name: ethyl 6-allyl-1-benzyl-5-methyl-4-oxo-7-phenyl-pyrrolo[3,4-b]pyridine-3-carboxylate CAS Name: 5-methyl-4-oxo-7-phenyl-1-(phenylmethyl)-6-prop-2-enyl-3-pyrrolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-methyl-4-oxo-7-phenyl-6-prop-2-enylpyrrolo[3,4-b]pyridine-3-carboxylate Traditional Name: 6-allyl-1-benzyl-4-keto-5-methyl-7-phenyl-pyrrolo[3,4-b]pyridine-3-carboxylic acid ethyl ester Formula: C27H26N2O3 MolecularWeight: 426.50694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(N(C(=C2C1=O)C)CC=C)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(N(C(=C2C1=O)C)CC=C)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O3/c1-4-16-29-19(3)23-25(24(29)21-14-10-7-11-15-21)28(17-20-12-8-6-9-13-20)18-22(26(23)30)27(31)32-5-2/h4,6-15,18H,1,5,16-17H2,2-3H3