methyl 3-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]propanoate

Systemtic Name: methyl 3-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]propanoate Openeye Name: methyl 3-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]propanoate CAS Name: 3-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]propanoate Traditional Name: 3-[[3-(4-cyanobenzyl)imidazol-4-yl]methylamino]propionic acid methyl ester Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNCC1=CN=CN1CC2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)CCNCC1=CN=CN1CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H18N4O2/c1-22-16(21)6-7-18-9-15-10-19-12-20(15)11-14-4-2-13(8-17)3-5-14/h2-5,10,12,18H,6-7,9,11H2,1H3