[4-[2-[2-(tert-butylamino)-1-phenyl-ethoxy]-2-oxidanylidene-ethoxy]-2-oxidanyl-phenyl] 3-methylbenzoate

Systemtic Name: [4-[2-[2-(tert-butylamino)-1-phenyl-ethoxy]-2-oxidanylidene-ethoxy]-2-oxidanyl-phenyl] 3-methylbenzoate Openeye Name: [4-[2-[2-(tert-butylamino)-1-phenyl-ethoxy]-2-oxo-ethoxy]-2-hydroxy-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[2-[2-(tert-butylamino)-1-phenylethoxy]-2-oxoethoxy]-2-hydroxyphenyl] ester IUPAC Name: [4-[2-[2-(tert-butylamino)-1-phenylethoxy]-2-oxoethoxy]-2-hydroxyphenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[2-[2-(tert-butylamino)-1-phenyl-ethoxy]-2-keto-ethoxy]-2-hydroxy-phenyl] ester Formula: C28H31NO6 MolecularWeight: 477.54884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)OCC(=O)OC(CNC(C)(C)C)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)OCC(=O)OC(CNC(C)(C)C)C3=CC=CC=C3)O

InChI

InChI=1S/C28H31NO6/c1-19-9-8-12-21(15-19)27(32)35-24-14-13-22(16-23(24)30)33-18-26(31)34-25(17-29-28(2,3)4)20-10-6-5-7-11-20/h5-16,25,29-30H,17-18H2,1-4H3