methyl 2-[[2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methyl-1-oxopropyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C21H22ClNO6 MolecularWeight: 419.85548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CO)C(=O)OC)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C(=O)NC(CO)C(=O)OC)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H22ClNO6/c1-21(2,20(27)23-17(12-24)19(26)28-3)29-16-10-6-14(7-11-16)18(25)13-4-8-15(22)9-5-13/h4-11,17,24H,12H2,1-3H3,(H,23,27)