methyl 4-[2-[(4-cyanophenyl)carbamoyl-(2,2-dimethoxyethyl)amino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[(4-cyanophenyl)carbamoyl-(2,2-dimethoxyethyl)amino]ethyl]benzoate Openeye Name: methyl 4-[2-[(4-cyanophenyl)carbamoyl-(2,2-dimethoxyethyl)amino]ethyl]benzoate CAS Name: 4-[2-[[(4-cyanoanilino)-oxomethyl]-(2,2-dimethoxyethyl)amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(4-cyanophenyl)carbamoyl-(2,2-dimethoxyethyl)amino]ethyl]benzoate Traditional Name: 4-[2-[(4-cyanophenyl)carbamoyl-(2,2-dimethoxyethyl)amino]ethyl]benzoic acid methyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN(CCC1=CC=C(C=C1)C(=O)OC)C(=O)NC2=CC=C(C=C2)C#N)OC

Isomeric SMILES

COC(CN(CCC1=CC=C(C=C1)C(=O)OC)C(=O)NC2=CC=C(C=C2)C#N)OC

InChI

InChI=1S/C22H25N3O5/c1-28-20(29-2)15-25(22(27)24-19-10-6-17(14-23)7-11-19)13-12-16-4-8-18(9-5-16)21(26)30-3/h4-11,20H,12-13,15H2,1-3H3,(H,24,27)