[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(ethoxycarbonylamino)benzoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(ethoxycarbonylamino)benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 4-(ethoxycarbonylamino)benzoate CAS Name: 4-(ethoxycarbonylamino)benzoic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 4-(ethoxycarbonylamino)benzoate Traditional Name: 4-(carbethoxyamino)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=C(C=C1)C(=O)OC(C)C(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)C(=O)OC(C)C(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C22H23N3O5/c1-3-29-22(28)24-18-12-10-17(11-13-18)21(27)30-16(2)20(26)25(15-7-14-23)19-8-5-4-6-9-19/h4-6,8-13,16H,3,7,15H2,1-2H3,(H,24,28)