[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-[(aminocarbonylamino)methyl]benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-[(aminocarbonylamino)methyl]benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-(ureidomethyl)benzoate CAS Name: 4-[(carbamoylamino)methyl]benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate Traditional Name: 4-(ureidomethyl)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(C=C2)CNC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(C=C2)CNC(=O)N

InChI

InChI=1S/C20H20N4O4/c21-11-4-12-24(17-5-2-1-3-6-17)18(25)14-28-19(26)16-9-7-15(8-10-16)13-23-20(22)27/h1-3,5-10H,4,12-14H2,(H3,22,23,27)