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

Systemtic Name: methyl 2-[4-(3,5-dimethylphenoxy)butylamino]-3-methyl-benzoate Openeye Name: methyl 2-[4-(3,5-dimethylphenoxy)butylamino]-3-methyl-benzoate CAS Name: 2-[4-(3,5-dimethylphenoxy)butylamino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[4-(3,5-dimethylphenoxy)butylamino]-3-methylbenzoate Traditional Name: 2-[4-(3,5-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=CC(=C1NCCCCOC2=CC(=CC(=C2)C)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1NCCCCOC2=CC(=CC(=C2)C)C)C(=O)OC

InChI

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