methyl 4-[[2-[2-(2-chloranylphenoxy)ethyl-methyl-amino]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[2-(2-chloranylphenoxy)ethyl-methyl-amino]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[2-(2-chlorophenoxy)ethyl-methyl-amino]propanoylamino]methyl]benzoate CAS Name: 4-[[[2-[2-(2-chlorophenoxy)ethyl-methylamino]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(2-chlorophenoxy)ethyl-methylamino]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[2-(2-chlorophenoxy)ethyl-methyl-amino]propanoylamino]methyl]benzoic acid methyl ester Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N(C)CCOC2=CC=CC=C2Cl

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N(C)CCOC2=CC=CC=C2Cl

InChI

InChI=1S/C21H25ClN2O4/c1-15(24(2)12-13-28-19-7-5-4-6-18(19)22)20(25)23-14-16-8-10-17(11-9-16)21(26)27-3/h4-11,15H,12-14H2,1-3H3,(H,23,25)