methyl 3-[4-cyclohex-3-en-1-ylcarbonyl-2-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate

Systemtic Name: methyl 3-[4-cyclohex-3-en-1-ylcarbonyl-2-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[4-(cyclohex-3-ene-1-carbonyl)-2-oxo-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[4-[1-cyclohex-3-enyl(oxo)methyl]-2-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(cyclohex-3-ene-1-carbonyl)-2-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[4-(cyclohex-3-ene-1-carbonyl)-2-keto-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CC(CN(CC1=O)C(=O)C2CCC=CC2)OCC3=CC=NC=C3

Isomeric SMILES

COC(=O)CCN1CC(CN(CC1=O)C(=O)C2CCC=CC2)OCC3=CC=NC=C3

InChI

InChI=1S/C22H29N3O5/c1-29-21(27)9-12-24-13-19(30-16-17-7-10-23-11-8-17)14-25(15-20(24)26)22(28)18-5-3-2-4-6-18/h2-3,7-8,10-11,18-19H,4-6,9,12-16H2,1H3