ethyl 2,5-dimethyl-4-[2-[2-[(phenylmethyl)amino]benzimidazol-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[2-[(phenylmethyl)amino]benzimidazol-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[2-(benzylamino)benzimidazol-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-[2-[(phenylmethyl)amino]-1-benzimidazolyl]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(benzylamino)benzimidazol-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[2-(benzylamino)benzimidazol-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CN2C3=CC=CC=C3N=C2NCC4=CC=CC=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CN2C3=CC=CC=C3N=C2NCC4=CC=CC=C4)C)C

InChI

InChI=1S/C25H26N4O3/c1-4-32-24(31)23-17(3)27-16(2)22(23)21(30)15-29-20-13-9-8-12-19(20)28-25(29)26-14-18-10-6-5-7-11-18/h5-13,27H,4,14-15H2,1-3H3,(H,26,28)