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

Systemtic Name: methyl 3-[4-(3-methylfuran-2-yl)carbonyl-2-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[4-(3-methylfuran-2-carbonyl)-2-oxo-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[4-[(3-methyl-2-furanyl)-oxomethyl]-2-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(3-methylfuran-2-carbonyl)-2-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[2-keto-4-(3-methyl-2-furoyl)-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=C1)C(=O)N2CC(CN(C(=O)C2)CCC(=O)OC)OCC3=CC=NC=C3

Isomeric SMILES

CC1=C(OC=C1)C(=O)N2CC(CN(C(=O)C2)CCC(=O)OC)OCC3=CC=NC=C3

InChI

InChI=1S/C21H25N3O6/c1-15-6-10-29-20(15)21(27)24-12-17(30-14-16-3-7-22-8-4-16)11-23(18(25)13-24)9-5-19(26)28-2/h3-4,6-8,10,17H,5,9,11-14H2,1-2H3