methyl 4-[[2-[(2,4-dimethylphenyl)methyl-methyl-amino]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(2,4-dimethylphenyl)methyl-methyl-amino]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[(2,4-dimethylphenyl)methyl-methyl-amino]propanoylamino]methyl]benzoate CAS Name: 4-[[[2-[(2,4-dimethylphenyl)methyl-methylamino]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[(2,4-dimethylbenzyl)-methyl-amino]propanoylamino]methyl]benzoic acid methyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(C)C(=O)NCC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(C)C(=O)NCC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C22H28N2O3/c1-15-6-9-20(16(2)12-15)14-24(4)17(3)21(25)23-13-18-7-10-19(11-8-18)22(26)27-5/h6-12,17H,13-14H2,1-5H3,(H,23,25)