methyl 5-[[[4-(2-cyanoethanoylamino)phenyl]carbonylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[[4-(2-cyanoethanoylamino)phenyl]carbonylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[[4-[(2-cyanoacetyl)amino]benzoyl]amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[[4-[(2-cyano-1-oxoethyl)amino]phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[[4-[(2-cyanoacetyl)amino]benzoyl]amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[[4-[(2-cyanoacetyl)amino]benzoyl]amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C(=O)OC

InChI

InChI=1S/C20H19N3O5/c1-27-17-8-3-13(11-16(17)20(26)28-2)12-22-19(25)14-4-6-15(7-5-14)23-18(24)9-10-21/h3-8,11H,9,12H2,1-2H3,(H,22,25)(H,23,24)