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

Systemtic Name: methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-[(3-imidazol-1-ylphenyl)carbonylamino]butanoate Openeye Name: methyl 2-[[3-(1-aminovinyl)phenyl]methyl]-3-[(3-imidazol-1-ylbenzoyl)amino]butanoate CAS Name: 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[[[3-(1-imidazolyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[(3-imidazol-1-ylbenzoyl)amino]butanoate Traditional Name: 2-[3-(1-aminovinyl)benzyl]-3-[(3-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(=CC=C2)N3C=CN=C3

Isomeric SMILES

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

InChI

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