methyl 5-[[3-[(4-ethanoyl-3-oxidanyl-phenoxy)methyl]phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[[3-[(4-ethanoyl-3-oxidanyl-phenoxy)methyl]phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[3-[(4-acetyl-3-hydroxy-phenoxy)methyl]anilino]-5-oxo-pentanoate CAS Name: 5-[3-[(4-acetyl-3-hydroxyphenoxy)methyl]anilino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[3-[(4-acetyl-3-hydroxyphenoxy)methyl]anilino]-5-oxopentanoate Traditional Name: 5-[3-[(4-acetyl-3-hydroxy-phenoxy)methyl]anilino]-5-keto-valeric acid methyl ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC2=CC(=CC=C2)NC(=O)CCCC(=O)OC)O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC2=CC(=CC=C2)NC(=O)CCCC(=O)OC)O

InChI

InChI=1S/C21H23NO6/c1-14(23)18-10-9-17(12-19(18)24)28-13-15-5-3-6-16(11-15)22-20(25)7-4-8-21(26)27-2/h3,5-6,9-12,24H,4,7-8,13H2,1-2H3,(H,22,25)