2-azanyl-2-[[2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoyl]amino]-3-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-2-[[2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoyl]amino]-3-oxidanylidene-butanoic acid Openeye Name: 2-amino-2-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoyl]amino]-3-oxo-butanoic acid CAS Name: 2-amino-2-[[2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methyl-1-oxopropyl]amino]-3-oxobutanoic acid IUPAC Name: 2-amino-2-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]amino]-3-oxobutanoic acid Traditional Name: 2-amino-2-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoyl]amino]-3-keto-butyric acid Formula: C21H21ClN2O6 MolecularWeight: 432.85424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)O)(N)NC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)C(C(=O)O)(N)NC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H21ClN2O6/c1-12(25)21(23,19(28)29)24-18(27)20(2,3)30-16-10-6-14(7-11-16)17(26)13-4-8-15(22)9-5-13/h4-11H,23H2,1-3H3,(H,24,27)(H,28,29)