(3R)-N-(3-hydroxyphenyl)-N-[(1R)-1-(4-hydroxyphenyl)-2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-(3-hydroxyphenyl)-N-[(1R)-1-(4-hydroxyphenyl)-2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-(3-hydroxyphenyl)-N-[(1R)-1-(4-hydroxyphenyl)-2-(isopentylamino)-2-oxo-ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-(3-hydroxyphenyl)-N-[(1R)-1-(4-hydroxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-(3-hydroxyphenyl)-N-[(1R)-1-(4-hydroxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-(3-hydroxyphenyl)-N-[(1R)-1-(4-hydroxyphenyl)-2-(isoamylamino)-2-keto-ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C28H30N2O6 MolecularWeight: 490.5476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(C1=CC=C(C=C1)O)N(C2=CC(=CC=C2)O)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CCNC(=O)[C@@H](C1=CC=C(C=C1)O)N(C2=CC(=CC=C2)O)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C28H30N2O6/c1-18(2)14-15-29-27(33)26(19-10-12-21(31)13-11-19)30(20-6-5-7-22(32)16-20)28(34)25-17-35-23-8-3-4-9-24(23)36-25/h3-13,16,18,25-26,31-32H,14-15,17H2,1-2H3,(H,29,33)/t25-,26-/m1/s1