[2-[(2-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-[(2-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-[(2-methoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-keto-2-[methyl(o-anisyl)amino]ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1OC)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CN(CC1=CC=CC=C1OC)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C21H21N3O5/c1-24(13-16-5-3-4-6-18(16)28-2)20(26)14-29-21(27)15-7-9-17(10-8-15)23-19(25)11-12-22/h3-10H,11,13-14H2,1-2H3,(H,23,25)