propan-2-yl 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-methyl-pyrrolo[3,2-b]pyrrole-5-carboxylate

Systemtic Name: propan-2-yl 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-methyl-pyrrolo[3,2-b]pyrrole-5-carboxylate Openeye Name: isopropyl 4-[2-(azepan-1-yl)-2-oxo-ethyl]-1-methyl-pyrrolo[3,2-b]pyrrole-5-carboxylate CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-1-methyl-5-pyrrolo[3,2-b]pyrrolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[2-(azepan-1-yl)-2-oxoethyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-1-methyl-pyrrolo[3,2-b]pyrrole-5-carboxylic acid isopropyl ester Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC2=C(N1CC(=O)N3CCCCCC3)C=CN2C

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(N1CC(=O)N3CCCCCC3)C=CN2C

InChI

InChI=1S/C19H27N3O3/c1-14(2)25-19(24)17-12-16-15(8-11-20(16)3)22(17)13-18(23)21-9-6-4-5-7-10-21/h8,11-12,14H,4-7,9-10,13H2,1-3H3