methyl 4-[[[(4-cyanophenyl)methyl-(2-dimethylaminoethyl)carbamoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[(4-cyanophenyl)methyl-(2-dimethylaminoethyl)carbamoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[(4-cyanophenyl)methyl-(2-dimethylaminoethyl)carbamoyl]amino]methyl]benzoate CAS Name: 4-[[[[(4-cyanophenyl)methyl-(2-dimethylaminoethyl)amino]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(4-cyanophenyl)methyl-(2-dimethylaminoethyl)carbamoyl]amino]methyl]benzoate Traditional Name: 4-[[[(4-cyanobenzyl)-(2-dimethylaminoethyl)carbamoyl]amino]methyl]benzoic acid methyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC=C(C=C1)C#N)C(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN(C)CCN(CC1=CC=C(C=C1)C#N)C(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H26N4O3/c1-25(2)12-13-26(16-19-6-4-17(14-23)5-7-19)22(28)24-15-18-8-10-20(11-9-18)21(27)29-3/h4-11H,12-13,15-16H2,1-3H3,(H,24,28)