[2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 4-oxidanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 4-oxidanylbenzoate Openeye Name: [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [2-keto-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCNC(=O)COC(=O)C2=CC=C(C=C2)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCNC(=O)COC(=O)C2=CC=C(C=C2)O)C)C

InChI

InChI=1S/C21H25NO5/c1-14-11-15(2)16(3)19(12-14)26-10-4-9-22-20(24)13-27-21(25)17-5-7-18(23)8-6-17/h5-8,11-12,23H,4,9-10,13H2,1-3H3,(H,22,24)