[(2R,3S,4S)-2-(3,4-dimethoxyphenyl)-4-ethoxy-3-oxidanyl-3,4-dihydro-2H-chromen-7-yl] benzoate

Systemtic Name: [(2R,3S,4S)-2-(3,4-dimethoxyphenyl)-4-ethoxy-3-oxidanyl-3,4-dihydro-2H-chromen-7-yl] benzoate Openeye Name: [(2R,3S,4S)-2-(3,4-dimethoxyphenyl)-4-ethoxy-3-hydroxy-chroman-7-yl] benzoate CAS Name: benzoic acid [(2R,3S,4S)-2-(3,4-dimethoxyphenyl)-4-ethoxy-3-hydroxy-3,4-dihydro-2H-1-benzopyran-7-yl] ester IUPAC Name: [(2R,3S,4S)-2-(3,4-dimethoxyphenyl)-4-ethoxy-3-hydroxy-3,4-dihydro-2H-chromen-7-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4S)-2-(3,4-dimethoxyphenyl)-4-ethoxy-3-hydroxy-chroman-7-yl] ester Formula: C26H26O7 MolecularWeight: 450.48044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(C(OC2=C1C=CC(=C2)OC(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)O

Isomeric SMILES

CCO[C@@H]1[C@@H]([C@H](OC2=C1C=CC(=C2)OC(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)O

InChI

InChI=1S/C26H26O7/c1-4-31-25-19-12-11-18(32-26(28)16-8-6-5-7-9-16)15-21(19)33-24(23(25)27)17-10-13-20(29-2)22(14-17)30-3/h5-15,23-25,27H,4H2,1-3H3/t23-,24-,25+/m1/s1