methyl 2-[(3-cyanophenyl)carbonylamino]-3-(3-methoxypropyl)benzimidazole-4-carboxylate

Systemtic Name: methyl 2-[(3-cyanophenyl)carbonylamino]-3-(3-methoxypropyl)benzimidazole-4-carboxylate Openeye Name: methyl 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)benzimidazole-4-carboxylate CAS Name: 2-[[(3-cyanophenyl)-oxomethyl]amino]-3-(3-methoxypropyl)-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)benzimidazole-4-carboxylate Traditional Name: 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)benzimidazole-4-carboxylic acid methyl ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C2=C(C=CC=C2N=C1NC(=O)C3=CC=CC(=C3)C#N)C(=O)OC

Isomeric SMILES

COCCCN1C2=C(C=CC=C2N=C1NC(=O)C3=CC=CC(=C3)C#N)C(=O)OC

InChI

InChI=1S/C21H20N4O4/c1-28-11-5-10-25-18-16(20(27)29-2)8-4-9-17(18)23-21(25)24-19(26)15-7-3-6-14(12-15)13-22/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,23,24,26)