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

Systemtic Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxidanylidene-4-pent-4-enoyl-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxo-4-pent-4-enoyl-1,4-diazepan-1-yl]propanoate CAS Name: 3-[6-[(3-methoxyphenyl)methoxy]-2-oxo-4-(1-oxopent-4-enyl)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxo-4-pent-4-enoyl-1,4-diazepan-1-yl]propanoate Traditional Name: 3-(2-keto-6-m-anisyloxy-4-pent-4-enoyl-1,4-diazepan-1-yl)propionic acid methyl ester Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O6/c1-4-5-9-20(25)24-14-19(30-16-17-7-6-8-18(12-17)28-2)13-23(21(26)15-24)11-10-22(27)29-3/h4,6-8,12,19H,1,5,9-11,13-16H2,2-3H3