[2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 3-azanyl-4-methyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 3-azanyl-4-methyl-benzoate Openeye Name: [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 3-amino-4-methyl-benzoate CAS Name: 3-amino-4-methylbenzoic acid [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 3-amino-4-methylbenzoate Traditional Name: 3-amino-4-methyl-benzoic acid [2-keto-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCCOC2=CC(=CC(=C2C)C)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCCOC2=CC(=CC(=C2C)C)C)N

InChI

InChI=1S/C22H28N2O4/c1-14-10-16(3)17(4)20(11-14)27-9-5-8-24-21(25)13-28-22(26)18-7-6-15(2)19(23)12-18/h6-7,10-12H,5,8-9,13,23H2,1-4H3,(H,24,25)