methyl 3-[4-(2-azanyl-1-imidazol-1-yl-ethyl)phenyl]propanoate

Systemtic Name: methyl 3-[4-(2-azanyl-1-imidazol-1-yl-ethyl)phenyl]propanoate Openeye Name: methyl 3-[4-(2-amino-1-imidazol-1-yl-ethyl)phenyl]propanoate CAS Name: 3-[4-[2-amino-1-(1-imidazolyl)ethyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2-amino-1-imidazol-1-ylethyl)phenyl]propanoate Traditional Name: 3-[4-(2-amino-1-imidazol-1-yl-ethyl)phenyl]propionic acid methyl ester Formula: C15H19N3O2 MolecularWeight: 273.33026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C(CN)N2C=CN=C2

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C(CN)N2C=CN=C2

InChI

InChI=1S/C15H19N3O2/c1-20-15(19)7-4-12-2-5-13(6-3-12)14(10-16)18-9-8-17-11-18/h2-3,5-6,8-9,11,14H,4,7,10,16H2,1H3