(E)-4-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]carbonyloxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]carbonyloxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]oxy-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-oxomethoxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]oxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]oxy-but-2-enoic acid Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)OC(=O)C=CC(=O)O

Isomeric SMILES

CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C17H20N2O5/c1-18-9-2-10-19(12-11-18)14-5-3-13(4-6-14)17(23)24-16(22)8-7-15(20)21/h3-8H,2,9-12H2,1H3,(H,20,21)/b8-7+