methyl 2-[[2-[(E)-dimethylaminomethylideneamino]imidazol-1-yl]-phenylmethoxycarbonyl-amino]propanoate

Systemtic Name: methyl 2-[[2-[(E)-dimethylaminomethylideneamino]imidazol-1-yl]-phenylmethoxycarbonyl-amino]propanoate Openeye Name: methyl 2-[benzyloxycarbonyl-[2-[(E)-dimethylaminomethyleneamino]imidazol-1-yl]amino]propanoate CAS Name: 2-[[2-[(E)-dimethylaminomethylideneamino]-1-imidazolyl]-phenylmethoxycarbonylamino]propanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(E)-dimethylaminomethylideneamino]imidazol-1-yl]-phenylmethoxycarbonylamino]propanoate Traditional Name: 2-[carbobenzoxy-[2-[(E)-dimethylaminomethyleneamino]imidazol-1-yl]amino]propionic acid methyl ester Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N(C(=O)OCC1=CC=CC=C1)N2C=CN=C2N=CN(C)C

Isomeric SMILES

CC(C(=O)OC)N(C(=O)OCC1=CC=CC=C1)N2C=CN=C2/N=C/N(C)C

InChI

InChI=1S/C18H23N5O4/c1-14(16(24)26-4)23(18(25)27-12-15-8-6-5-7-9-15)22-11-10-19-17(22)20-13-21(2)3/h5-11,13-14H,12H2,1-4H3/b20-13+