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

Systemtic Name: methyl 3-[2-oxidanylidene-4-(4-phenylbutanoyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[2-oxo-4-(4-phenylbutanoyl)-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[2-oxo-4-(1-oxo-4-phenylbutyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-4-(4-phenylbutanoyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[2-keto-4-(4-phenylbutanoyl)-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CC(CN(CC1=O)C(=O)CCCC2=CC=CC=C2)OCC3=CC=NC=C3

Isomeric SMILES

COC(=O)CCN1CC(CN(CC1=O)C(=O)CCCC2=CC=CC=C2)OCC3=CC=NC=C3

InChI

InChI=1S/C25H31N3O5/c1-32-25(31)12-15-27-16-22(33-19-21-10-13-26-14-11-21)17-28(18-24(27)30)23(29)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-11,13-14,22H,5,8-9,12,15-19H2,1H3