methyl 3-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-3-phenyl-propanoate CAS Name: 3-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-phenylpropanoate Traditional Name: 3-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-3-phenyl-propionic acid methyl ester Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC(CC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC(CC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C21H24ClNO4/c1-15-13-17(22)10-11-19(15)27-12-6-9-20(24)23-18(14-21(25)26-2)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18H,6,9,12,14H2,1-2H3,(H,23,24)