[(3R,6R,7S,8S)-7-methoxy-8-[(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] (E)-3-[4-chloranyl-3-[2-(2-hydroxyethyloxy)ethylamino]phenyl]prop-2-enoate

Systemtic Name: [(3R,6R,7S,8S)-7-methoxy-8-[(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] (E)-3-[4-chloranyl-3-[2-(2-hydroxyethyloxy)ethylamino]phenyl]prop-2-enoate Openeye Name: [(3R,6R,7S,8S)-7-methoxy-8-[(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] (E)-3-[4-chloro-3-[2-(2-hydroxyethoxy)ethylamino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-chloro-3-[2-(2-hydroxyethoxy)ethylamino]phenyl]-2-propenoic acid [(3R,6R,7S,8S)-7-methoxy-8-[(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-2-oxaspiro[2.5]octan-6-yl] ester IUPAC Name: [(3R,6R,7S,8S)-7-methoxy-8-[(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] (E)-3-[4-chloro-3-[2-(2-hydroxyethoxy)ethylamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-chloro-3-[2-(2-hydroxyethoxy)ethylamino]phenyl]acrylic acid [(3R,6R,7S,8S)-7-methoxy-8-[(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] ester Formula: C29H40ClNO7 MolecularWeight: 550.0834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)C=CC4=CC(=C(C=C4)Cl)NCCOCCO)OC)C

Isomeric SMILES

CC(=CC[C@H]1[C@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C4=CC(=C(C=C4)Cl)NCCOCCO)OC)C

InChI

InChI=1S/C29H40ClNO7/c1-19(2)5-9-24-28(3,38-24)27-26(34-4)23(11-12-29(27)18-36-29)37-25(33)10-7-20-6-8-21(30)22(17-20)31-13-15-35-16-14-32/h5-8,10,17,23-24,26-27,31-32H,9,11-16,18H2,1-4H3/b10-7+/t23-,24+,26-,27-,28-,29+/m1/s1