8-[3-[2-(4-methoxyphenyl)-3-oxidanylidene-prop-2-enyl]morpholin-4-yl]-8-oxidanylidene-octanamide hydrate

Systemtic Name: 8-[3-[2-(4-methoxyphenyl)-3-oxidanylidene-prop-2-enyl]morpholin-4-yl]-8-oxidanylidene-octanamide hydrate Openeye Name: 8-[3-[2-(4-methoxyphenyl)-3-oxo-allyl]morpholin-4-yl]-8-oxo-octanamide hydrate CAS Name: 8-[3-[2-(4-methoxyphenyl)-3-oxoprop-2-enyl]-4-morpholinyl]-8-oxooctanamide hydrate IUPAC Name: 8-[3-[2-(4-methoxyphenyl)-3-oxoprop-2-enyl]morpholin-4-yl]-8-oxooctanamide hydrate Traditional Name: 8-keto-8-[3-[3-keto-2-(4-methoxyphenyl)allyl]morpholino]caprylamide hydrate Formula: C22H32N2O6 MolecularWeight: 420.49928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=C=O)CC2COCCN2C(=O)CCCCCCC(=O)N.O

Isomeric SMILES

COC1=CC=C(C=C1)C(=C=O)CC2COCCN2C(=O)CCCCCCC(=O)N.O

InChI

InChI=1S/C22H30N2O5.H2O/c1-28-20-10-8-17(9-11-20)18(15-25)14-19-16-29-13-12-24(19)22(27)7-5-3-2-4-6-21(23)26;/h8-11,19H,2-7,12-14,16H2,1H3,(H2,23,26);1H2