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

Systemtic Name: methyl 4-[[3-oxidanylidene-6-phenylmethoxy-4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]carbonyl]benzoate Openeye Name: methyl 4-[6-benzyloxy-3-oxo-4-(3-pyridylmethyl)-1,4-diazepane-1-carbonyl]benzoate CAS Name: 4-[oxo-[3-oxo-6-phenylmethoxy-4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-oxo-6-phenylmethoxy-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbonyl]benzoate Traditional Name: 4-[6-benzoxy-3-keto-4-(3-pyridylmethyl)-1,4-diazepane-1-carbonyl]benzoic acid methyl ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CC(CN(C(=O)C2)CC3=CN=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CC(CN(C(=O)C2)CC3=CN=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O5/c1-34-27(33)23-11-9-22(10-12-23)26(32)30-17-24(35-19-20-6-3-2-4-7-20)16-29(25(31)18-30)15-21-8-5-13-28-14-21/h2-14,24H,15-19H2,1H3