methyl 3-[[3-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[[3-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]amino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[3-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]anilino]-3-oxo-propanoate CAS Name: 3-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]anilino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]anilino]-3-oxopropanoate Traditional Name: 3-[3-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]anilino]-3-keto-propionic acid methyl ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC(=CC=C2)NC(=O)CC(=O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC(=CC=C2)NC(=O)CC(=O)OC

InChI

InChI=1S/C22H25NO6/c1-4-6-18-19(10-9-17(14(2)24)22(18)27)29-13-15-7-5-8-16(11-15)23-20(25)12-21(26)28-3/h5,7-11,27H,4,6,12-13H2,1-3H3,(H,23,25)