ethyl 4-[(2-cyanophenyl)methyl]-1-methyl-pyrrolo[3,2-b]pyrrole-5-carboxylate

Systemtic Name: ethyl 4-[(2-cyanophenyl)methyl]-1-methyl-pyrrolo[3,2-b]pyrrole-5-carboxylate Openeye Name: ethyl 4-[(2-cyanophenyl)methyl]-1-methyl-pyrrolo[3,2-b]pyrrole-5-carboxylate CAS Name: 4-[(2-cyanophenyl)methyl]-1-methyl-5-pyrrolo[3,2-b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-cyanophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate Traditional Name: 4-(2-cyanobenzyl)-1-methyl-pyrrolo[3,2-b]pyrrole-5-carboxylic acid ethyl ester Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC3=CC=CC=C3C#N)C=CN2C

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC3=CC=CC=C3C#N)C=CN2C

InChI

InChI=1S/C18H17N3O2/c1-3-23-18(22)17-10-16-15(8-9-20(16)2)21(17)12-14-7-5-4-6-13(14)11-19/h4-10H,3,12H2,1-2H3