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

Systemtic Name: methyl 3-[4-(furan-2-ylcarbonyl)-6-[(3-methoxyphenyl)methoxy]-2-oxidanylidene-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[4-(furan-2-carbonyl)-6-[(3-methoxyphenyl)methoxy]-2-oxo-1,4-diazepan-1-yl]propanoate CAS Name: 3-[4-[2-furanyl(oxo)methyl]-6-[(3-methoxyphenyl)methoxy]-2-oxo-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(furan-2-carbonyl)-6-[(3-methoxyphenyl)methoxy]-2-oxo-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[4-(2-furoyl)-2-keto-6-m-anisyloxy-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CCC(=O)OC)C(=O)C3=CC=CO3

Isomeric SMILES

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CCC(=O)OC)C(=O)C3=CC=CO3

InChI

InChI=1S/C22H26N2O7/c1-28-17-6-3-5-16(11-17)15-31-18-12-23(9-8-21(26)29-2)20(25)14-24(13-18)22(27)19-7-4-10-30-19/h3-7,10-11,18H,8-9,12-15H2,1-2H3