methyl 4-[3-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[3-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-amino]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[[2-(2-ethylanilino)-2-keto-ethyl]-methyl-amino]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN(C)CC(COC2=CC=C(C=C2)C(=O)OC)O

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(C)CC(COC2=CC=C(C=C2)C(=O)OC)O

InChI

InChI=1S/C22H28N2O5/c1-4-16-7-5-6-8-20(16)23-21(26)14-24(2)13-18(25)15-29-19-11-9-17(10-12-19)22(27)28-3/h5-12,18,25H,4,13-15H2,1-3H3,(H,23,26)