methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-[(6-imidazol-1-ylpyridin-3-yl)carbonylamino]butanoate

Systemtic Name: methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-[(6-imidazol-1-ylpyridin-3-yl)carbonylamino]butanoate Openeye Name: methyl 2-[[3-(1-aminovinyl)phenyl]methyl]-3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]butanoate CAS Name: 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[[[6-(1-imidazolyl)-3-pyridinyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]butanoate Traditional Name: 2-[3-(1-aminovinyl)benzyl]-3-[(6-imidazol-1-ylnicotinoyl)amino]butyric acid methyl ester Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C(=C)N)C(=O)OC)NC(=O)C2=CN=C(C=C2)N3C=CN=C3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=C)N)C(=O)OC)NC(=O)C2=CN=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C23H25N5O3/c1-15(24)18-6-4-5-17(11-18)12-20(23(30)31-3)16(2)27-22(29)19-7-8-21(26-13-19)28-10-9-25-14-28/h4-11,13-14,16,20H,1,12,24H2,2-3H3,(H,27,29)