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

Systemtic Name: methyl 2-[3-(2,3-dimethylphenoxy)propylamino]-5-methyl-benzoate Openeye Name: methyl 2-[3-(2,3-dimethylphenoxy)propylamino]-5-methyl-benzoate CAS Name: 2-[3-(2,3-dimethylphenoxy)propylamino]-5-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[3-(2,3-dimethylphenoxy)propylamino]-5-methylbenzoate Traditional Name: 2-[3-(2,3-dimethylphenoxy)propylamino]-5-methyl-benzoic acid methyl ester Formula: C20H25NO3 MolecularWeight: 327.4174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCCCOC2=CC=CC(=C2C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)NCCCOC2=CC=CC(=C2C)C)C(=O)OC

InChI

InChI=1S/C20H25NO3/c1-14-9-10-18(17(13-14)20(22)23-4)21-11-6-12-24-19-8-5-7-15(2)16(19)3/h5,7-10,13,21H,6,11-12H2,1-4H3