ethyl 2-[methyl-[2-(2-oxidanylphenoxy)ethanoyl]amino]-4-(octylamino)benzoate

Systemtic Name: ethyl 2-[methyl-[2-(2-oxidanylphenoxy)ethanoyl]amino]-4-(octylamino)benzoate Openeye Name: ethyl 2-[[2-(2-hydroxyphenoxy)acetyl]-methyl-amino]-4-(octylamino)benzoate CAS Name: 2-[[2-(2-hydroxyphenoxy)-1-oxoethyl]-methylamino]-4-(octylamino)benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-hydroxyphenoxy)acetyl]-methylamino]-4-(octylamino)benzoate Traditional Name: 2-[[2-(2-hydroxyphenoxy)acetyl]-methyl-amino]-4-(octylamino)benzoic acid ethyl ester Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC(=C(C=C1)C(=O)OCC)N(C)C(=O)COC2=CC=CC=C2O

Isomeric SMILES

CCCCCCCCNC1=CC(=C(C=C1)C(=O)OCC)N(C)C(=O)COC2=CC=CC=C2O

InChI

InChI=1S/C26H36N2O5/c1-4-6-7-8-9-12-17-27-20-15-16-21(26(31)32-5-2)22(18-20)28(3)25(30)19-33-24-14-11-10-13-23(24)29/h10-11,13-16,18,27,29H,4-9,12,17,19H2,1-3H3