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

Systemtic Name: methyl 3-[1-[4-[4-(aminomethyl)-2-oxidanylidene-piperidin-1-yl]phenyl]imidazol-4-yl]-2-azanyl-propanoate Openeye Name: methyl 2-amino-3-[1-[4-[4-(aminomethyl)-2-oxo-1-piperidyl]phenyl]imidazol-4-yl]propanoate CAS Name: 2-amino-3-[1-[4-[4-(aminomethyl)-2-oxo-1-piperidinyl]phenyl]-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-[1-[4-[4-(aminomethyl)-2-oxopiperidin-1-yl]phenyl]imidazol-4-yl]propanoate Traditional Name: 2-amino-3-[1-[4-[4-(aminomethyl)-2-keto-piperidino]phenyl]imidazol-4-yl]propionic acid methyl ester Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O3/c1-27-19(26)17(21)9-14-11-23(12-22-14)15-2-4-16(5-3-15)24-7-6-13(10-20)8-18(24)25/h2-5,11-13,17H,6-10,20-21H2,1H3