methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[2-[(2-methylphenyl)carbonylamino]ethanoyloxy]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[2-[(2-methylphenyl)carbonylamino]ethanoyloxy]-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[2-[(2-methylbenzoyl)amino]acetyl]oxy-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxoethoxy]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[2-[(2-methylbenzoyl)amino]acetyl]oxy-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[2-(o-toluoylamino)acetyl]oxy-butyric acid methyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C22H21N3O6/c1-13-7-3-4-8-14(13)21(28)23-11-18(27)31-12-17(26)19(22(29)30-2)20-24-15-9-5-6-10-16(15)25-20/h3-10,24-25H,11-12H2,1-2H3,(H,23,28)