methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxidanylidene-4-(3-pyridin-4-ylpropanoyl)-1,4-diazepan-1-yl]propanoate

Systemtic Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxidanylidene-4-(3-pyridin-4-ylpropanoyl)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxo-4-[3-(4-pyridyl)propanoyl]-1,4-diazepan-1-yl]propanoate CAS Name: 3-[6-[(3-methoxyphenyl)methoxy]-2-oxo-4-(1-oxo-3-pyridin-4-ylpropyl)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxo-4-(3-pyridin-4-ylpropanoyl)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[2-keto-6-m-anisyloxy-4-[3-(4-pyridyl)propanoyl]-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CCC(=O)OC)C(=O)CCC3=CC=NC=C3

Isomeric SMILES

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CCC(=O)OC)C(=O)CCC3=CC=NC=C3

InChI

InChI=1S/C25H31N3O6/c1-32-21-5-3-4-20(14-21)18-34-22-15-27(13-10-25(31)33-2)24(30)17-28(16-22)23(29)7-6-19-8-11-26-12-9-19/h3-5,8-9,11-12,14,22H,6-7,10,13,15-18H2,1-2H3