methyl 2-[4-(2,5-dimethylphenoxy)butylamino]-3-methyl-benzoate

Systemtic Name: methyl 2-[4-(2,5-dimethylphenoxy)butylamino]-3-methyl-benzoate Openeye Name: methyl 2-[4-(2,5-dimethylphenoxy)butylamino]-3-methyl-benzoate CAS Name: 2-[4-(2,5-dimethylphenoxy)butylamino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[4-(2,5-dimethylphenoxy)butylamino]-3-methylbenzoate Traditional Name: 2-[4-(2,5-dimethylphenoxy)butylamino]-3-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)C)OCCCCNC2=C(C=CC=C2C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCCNC2=C(C=CC=C2C)C(=O)OC

InChI

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