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

Systemtic Name: methyl 3-[4-but-2-ynoyl-6-[(3-methoxyphenyl)methoxy]-2-oxidanylidene-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[4-but-2-ynoyl-6-[(3-methoxyphenyl)methoxy]-2-oxo-1,4-diazepan-1-yl]propanoate CAS Name: 3-[6-[(3-methoxyphenyl)methoxy]-2-oxo-4-(1-oxobut-2-ynyl)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-but-2-ynoyl-6-[(3-methoxyphenyl)methoxy]-2-oxo-1,4-diazepan-1-yl]propanoate Traditional Name: 3-(4-but-2-ynoyl-2-keto-6-m-anisyloxy-1,4-diazepan-1-yl)propionic acid methyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CC(CN(C(=O)C1)CCC(=O)OC)OCC2=CC(=CC=C2)OC

Isomeric SMILES

CC#CC(=O)N1CC(CN(C(=O)C1)CCC(=O)OC)OCC2=CC(=CC=C2)OC

InChI

InChI=1S/C21H26N2O6/c1-4-6-19(24)23-13-18(29-15-16-7-5-8-17(11-16)27-2)12-22(20(25)14-23)10-9-21(26)28-3/h5,7-8,11,18H,9-10,12-15H2,1-3H3