methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-[(4-imidazol-1-ylphenyl)carbonylamino]butanoate

Systemtic Name: methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-[(4-imidazol-1-ylphenyl)carbonylamino]butanoate Openeye Name: methyl 2-[[3-(1-aminovinyl)phenyl]methyl]-3-[(4-imidazol-1-ylbenzoyl)amino]butanoate CAS Name: 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[[[4-(1-imidazolyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[(4-imidazol-1-ylbenzoyl)amino]butanoate Traditional Name: 2-[3-(1-aminovinyl)benzyl]-3-[(4-imidazol-1-ylbenzoyl)amino]butyric acid methyl ester Formula: C24H26N4O3 MolecularWeight: 418.48824

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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=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O3/c1-16(25)20-6-4-5-18(13-20)14-22(24(30)31-3)17(2)27-23(29)19-7-9-21(10-8-19)28-12-11-26-15-28/h4-13,15,17,22H,1,14,25H2,2-3H3,(H,27,29)