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

Systemtic Name: methyl 3-[2-(2,3-dimethylphenoxy)butanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[2-(2,3-dimethylphenoxy)butanoylamino]-4-methyl-benzoate CAS Name: 3-[[2-(2,3-dimethylphenoxy)-1-oxobutyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[2-(2,3-dimethylphenoxy)butanoylamino]-4-methylbenzoate Traditional Name: 3-[2-(2,3-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=CC(=C2C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C)OC2=CC=CC(=C2C)C

InChI

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