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

Systemtic Name: methyl 2-[4-(2,3-dimethylphenoxy)butylamino]-3-methyl-benzoate Openeye Name: methyl 2-[4-(2,3-dimethylphenoxy)butylamino]-3-methyl-benzoate CAS Name: 2-[4-(2,3-dimethylphenoxy)butylamino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[4-(2,3-dimethylphenoxy)butylamino]-3-methylbenzoate Traditional Name: 2-[4-(2,3-dimethylphenoxy)butylamino]-3-methyl-benzoic acid methyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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