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

Systemtic Name: methyl 2-[(3-ethanimidoylphenyl)methyl]-3-[[4-(1-oxidanidylpyridin-1-ium-4-yl)phenyl]carbonylamino]butanoate Openeye Name: methyl 2-[(3-ethanimidoylphenyl)methyl]-3-[[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]amino]butanoate CAS Name: 2-[[3-(1-iminoethyl)phenyl]methyl]-3-[[[4-(1-oxido-4-pyridin-1-iumyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-ethanimidoylphenyl)methyl]-3-[[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]amino]butanoate Traditional Name: 2-(3-acetimidoylbenzyl)-3-[[4-(1-oxidopyridin-1-ium-4-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=CC=[N+](C=C3)[O-]

Isomeric SMILES

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

InChI

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