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

Systemtic Name: ethyl 4-[5-azanyl-4-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3/c1-3-28-21(27)13-8-10-14(11-9-13)25-12-17(26)18(19(25)22)20-23-15-6-4-5-7-16(15)24(20)2/h4-11H,3,12,22H2,1-2H3