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

Systemtic Name: methyl 3-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C23H28ClNO6 MolecularWeight: 449.92452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClNO6/c1-15-12-17(24)8-10-19(15)31-11-5-6-22(26)25-18(14-23(27)30-4)16-7-9-20(28-2)21(13-16)29-3/h7-10,12-13,18H,5-6,11,14H2,1-4H3,(H,25,26)