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

Systemtic Name: methyl 3-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]imidazol-4-yl]-2-azanyl-propanoate Openeye Name: methyl 2-amino-3-[1-[4-[4-(aminomethyl)-1-piperidyl]phenyl]imidazol-4-yl]propanoate CAS Name: 2-amino-3-[1-[4-[4-(aminomethyl)-1-piperidinyl]phenyl]-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]imidazol-4-yl]propanoate Traditional Name: 2-amino-3-[1-[4-[4-(aminomethyl)piperidino]phenyl]imidazol-4-yl]propionic acid methyl ester Formula: C19H27N5O2 MolecularWeight: 357.44998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN(C=N1)C2=CC=C(C=C2)N3CCC(CC3)CN)N

Isomeric SMILES

COC(=O)C(CC1=CN(C=N1)C2=CC=C(C=C2)N3CCC(CC3)CN)N

InChI

InChI=1S/C19H27N5O2/c1-26-19(25)18(21)10-15-12-24(13-22-15)17-4-2-16(3-5-17)23-8-6-14(11-20)7-9-23/h2-5,12-14,18H,6-11,20-21H2,1H3