ethyl (E)-7-[4-[(2S,4S,5R)-5-[(Z)-6-ethoxy-6-oxidanylidene-hex-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]phenyl]-7-pyridin-3-yl-hept-6-enoate

Systemtic Name: ethyl (E)-7-[4-[(2S,4S,5R)-5-[(Z)-6-ethoxy-6-oxidanylidene-hex-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]phenyl]-7-pyridin-3-yl-hept-6-enoate Openeye Name: ethyl (E)-7-[4-[(2S,4S,5R)-5-[(Z)-6-ethoxy-6-oxo-hex-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]phenyl]-7-(3-pyridyl)hept-6-enoate CAS Name: (E)-7-[4-[(2S,4S,5R)-5-[(Z)-6-ethoxy-6-oxohex-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]phenyl]-7-(3-pyridinyl)-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[4-[(2S,4S,5R)-5-[(Z)-6-ethoxy-6-oxohex-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]phenyl]-7-pyridin-3-ylhept-6-enoate Traditional Name: (E)-7-[4-[(2S,4S,5R)-5-[(Z)-6-ethoxy-6-keto-hex-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]phenyl]-7-(3-pyridyl)hept-6-enoic acid ethyl ester Formula: C38H45NO7 MolecularWeight: 627.7664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC=C(C1=CC=C(C=C1)C2OCC(C(O2)C3=CC=CC=C3O)CC=CCCC(=O)OCC)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)CCCC/C=C(\C1=CC=C(C=C1)[C@H]2OC[C@H]([C@H](O2)C3=CC=CC=C3O)C/C=C\CCC(=O)OCC)/C4=CN=CC=C4

InChI

InChI=1S/C38H45NO7/c1-3-43-35(41)19-9-5-7-14-31-27-45-38(46-37(31)33-17-11-12-18-34(33)40)29-23-21-28(22-24-29)32(30-15-13-25-39-26-30)16-8-6-10-20-36(42)44-4-2/h5,7,11-13,15-18,21-26,31,37-38,40H,3-4,6,8-10,14,19-20,27H2,1-2H3/b7-5-,32-16+/t31-,37+,38+/m1/s1