2-[[7-acetamido-2-(3,4-dimethoxyphenyl)-6-[2-methoxy-4-(3-methoxy-3-oxidanylidene-prop-1-enyl)phenoxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid

Systemtic Name: 2-[[7-acetamido-2-(3,4-dimethoxyphenyl)-6-[2-methoxy-4-(3-methoxy-3-oxidanylidene-prop-1-enyl)phenoxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid Openeye Name: 2-[[7-acetamido-2-(3,4-dimethoxyphenyl)-6-[2-methoxy-4-(3-methoxy-3-oxo-prop-1-enyl)phenoxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid CAS Name: 2-[[7-acetamido-2-(3,4-dimethoxyphenyl)-6-[2-methoxy-4-(3-methoxy-3-oxoprop-1-enyl)phenoxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid IUPAC Name: 2-[[7-acetamido-2-(3,4-dimethoxyphenyl)-6-[2-methoxy-4-(3-methoxy-3-oxoprop-1-enyl)phenoxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid Traditional Name: 2-[[7-acetamido-2-(3,4-dimethoxyphenyl)-6-[4-(3-keto-3-methoxy-prop-1-enyl)-2-methoxy-phenoxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propionic acid Formula: C31H37NO13 MolecularWeight: 631.62438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1C(C(OC2C1OC(OC2)C3=CC(=C(C=C3)OC)OC)OC4=C(C=C(C=C4)C=CC(=O)OC)OC)NC(=O)C

Isomeric SMILES

CC(C(=O)O)OC1C(C(OC2C1OC(OC2)C3=CC(=C(C=C3)OC)OC)OC4=C(C=C(C=C4)C=CC(=O)OC)OC)NC(=O)C

InChI

InChI=1S/C31H37NO13/c1-16(29(35)36)42-28-26(32-17(2)33)31(43-21-10-7-18(13-22(21)38-4)8-12-25(34)40-6)44-24-15-41-30(45-27(24)28)19-9-11-20(37-3)23(14-19)39-5/h7-14,16,24,26-28,30-31H,15H2,1-6H3,(H,32,33)(H,35,36)