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

Systemtic Name: ethyl 1-methyl-4-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate Openeye Name: ethyl 4-[2-(4-isopropylanilino)-2-oxo-ethyl]-1-methyl-pyrrolo[3,2-b]pyrrole-5-carboxylate CAS Name: 1-methyl-4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-5-pyrrolo[3,2-b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate Traditional Name: 4-(2-cumidino-2-keto-ethyl)-1-methyl-pyrrolo[3,2-b]pyrrole-5-carboxylic acid ethyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC(=O)NC3=CC=C(C=C3)C(C)C)C=CN2C

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC(=O)NC3=CC=C(C=C3)C(C)C)C=CN2C

InChI

InChI=1S/C21H25N3O3/c1-5-27-21(26)19-12-18-17(10-11-23(18)4)24(19)13-20(25)22-16-8-6-15(7-9-16)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,22,25)