pentyl 4-[5-azanyl-4-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoate

Systemtic Name: pentyl 4-[5-azanyl-4-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: pentyl 4-[5-amino-4-(1-methylbenzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate CAS Name: 4-[5-amino-4-(1-methyl-2-benzimidazolyl)-3-oxo-2H-pyrrol-1-yl]benzoic acid pentyl ester IUPAC Name: pentyl 4-[5-amino-4-(1-methylbenzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate Traditional Name: 4-[2-amino-4-keto-3-(1-methylbenzimidazol-2-yl)-2-pyrrolin-1-yl]benzoic acid amyl ester Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4N3C

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C24H26N4O3/c1-3-4-7-14-31-24(30)16-10-12-17(13-11-16)28-15-20(29)21(22(28)25)23-26-18-8-5-6-9-19(18)27(23)2/h5-6,8-13H,3-4,7,14-15,25H2,1-2H3