methyl 2-[4-(2,5-dimethylphenoxy)butylamino]-5-methyl-benzoate

Systemtic Name: methyl 2-[4-(2,5-dimethylphenoxy)butylamino]-5-methyl-benzoate Openeye Name: methyl 2-[4-(2,5-dimethylphenoxy)butylamino]-5-methyl-benzoate CAS Name: 2-[4-(2,5-dimethylphenoxy)butylamino]-5-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[4-(2,5-dimethylphenoxy)butylamino]-5-methylbenzoate Traditional Name: 2-[4-(2,5-dimethylphenoxy)butylamino]-5-methyl-benzoic acid methyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCCCCOC2=C(C=CC(=C2)C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)NCCCCOC2=C(C=CC(=C2)C)C)C(=O)OC

InChI

InChI=1S/C21H27NO3/c1-15-8-10-19(18(13-15)21(23)24-4)22-11-5-6-12-25-20-14-16(2)7-9-17(20)3/h7-10,13-14,22H,5-6,11-12H2,1-4H3