methyl 3-[3-oxidanylidene-6-phenylmethoxy-4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]propanoate

Systemtic Name: methyl 3-[3-oxidanylidene-6-phenylmethoxy-4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[6-benzyloxy-3-oxo-4-(3-pyridylmethyl)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[3-oxo-6-phenylmethoxy-4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-oxo-6-phenylmethoxy-4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[6-benzoxy-3-keto-4-(3-pyridylmethyl)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CC(CN(C(=O)C1)CC2=CN=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCN1CC(CN(C(=O)C1)CC2=CN=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-28-22(27)9-11-24-14-20(29-17-18-6-3-2-4-7-18)15-25(21(26)16-24)13-19-8-5-10-23-12-19/h2-8,10,12,20H,9,11,13-17H2,1H3