methyl 3-[2-(3,4-dimethylphenoxy)butanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(3,4-dimethylphenoxy)butanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[2-(3,4-dimethylphenoxy)butanoylamino]-4-methyl-benzoate CAS Name: 3-[[2-(3,4-dimethylphenoxy)-1-oxobutyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dimethylphenoxy)butanoylamino]-4-methylbenzoate Traditional Name: 3-[2-(3,4-dimethylphenoxy)butanoylamino]-4-methyl-benzoic acid methyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C)OC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C)OC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H25NO4/c1-6-19(26-17-10-8-13(2)15(4)11-17)20(23)22-18-12-16(21(24)25-5)9-7-14(18)3/h7-12,19H,6H2,1-5H3,(H,22,23)