methyl 2-[(3-ethanimidoylphenyl)methyl]-3-[[4-(1-oxidanidylpyridin-1-ium-3-yl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-ethanimidoylphenyl)methyl]-3-[[4-(1-oxidanidylpyridin-1-ium-3-yl)phenyl]carbonylamino]butanoate Openeye Name: methyl 2-[(3-ethanimidoylphenyl)methyl]-3-[[4-(1-oxidopyridin-1-ium-3-yl)benzoyl]amino]butanoate CAS Name: 2-[[3-(1-iminoethyl)phenyl]methyl]-3-[[[4-(1-oxido-3-pyridin-1-iumyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-ethanimidoylphenyl)methyl]-3-[[4-(1-oxidopyridin-1-ium-3-yl)benzoyl]amino]butanoate Traditional Name: 2-(3-acetimidoylbenzyl)-3-[[4-(1-oxidopyridin-1-ium-3-yl)benzoyl]amino]butyric acid methyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C(=N)C)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=N)C)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C26H27N3O4/c1-17(27)22-7-4-6-19(14-22)15-24(26(31)33-3)18(2)28-25(30)21-11-9-20(10-12-21)23-8-5-13-29(32)16-23/h4-14,16,18,24,27H,15H2,1-3H3,(H,28,30)