methyl 3-[4-(2-methoxyphenyl)carbonyl-2-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate

Systemtic Name: methyl 3-[4-(2-methoxyphenyl)carbonyl-2-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[4-(2-methoxybenzoyl)-2-oxo-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[4-[(2-methoxyphenyl)-oxomethyl]-2-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2-methoxybenzoyl)-2-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[2-keto-4-o-anisoyl-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CC(CN(C(=O)C2)CCC(=O)OC)OCC3=CC=NC=C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CC(CN(C(=O)C2)CCC(=O)OC)OCC3=CC=NC=C3

InChI

InChI=1S/C23H27N3O6/c1-30-20-6-4-3-5-19(20)23(29)26-14-18(32-16-17-7-10-24-11-8-17)13-25(21(27)15-26)12-9-22(28)31-2/h3-8,10-11,18H,9,12-16H2,1-2H3