[(1R,3R,4aR,5S,8aR)-5-[(2S)-2-[(3R)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-oxidanyl-ethyl]-3-chloranyl-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl ethanoate

Systemtic Name: [(1R,3R,4aR,5S,8aR)-5-[(2S)-2-[(3R)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-oxidanyl-ethyl]-3-chloranyl-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl ethanoate Openeye Name: [(1R,3R,4aR,5S,8aR)-3-chloro-5-[(2S)-2-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-hydroxy-ethyl]-1,4a-dimethyl-6-methylene-decalin-1-yl]methyl acetate CAS Name: acetic acid [(1R,3R,4aR,5S,8aR)-3-chloro-5-[(2S)-2-[(3R)-2,5-dioxo-3-pyrrolidinyl]-2-hydroxyethyl]-1,4a-dimethyl-6-methylene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl ester IUPAC Name: [(1R,3R,4aR,5S,8aR)-3-chloro-5-[(2S)-2-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-hydroxyethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate Traditional Name: acetic acid [(1R,3R,4aR,5S,8aR)-3-chloro-5-[(2S)-2-[(3R)-2,5-diketopyrrolidin-3-yl]-2-hydroxy-ethyl]-1,4a-dimethyl-6-methylene-decalin-1-yl]methyl ester Formula: C22H32ClNO5 MolecularWeight: 425.94618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CC(CC2(C1CCC(=C)C2CC(C3CC(=O)NC3=O)O)C)Cl)C

Isomeric SMILES

CC(=O)OC[C@@]1(C[C@@H](C[C@]2([C@H]1CCC(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)C)Cl)C

InChI

InChI=1S/C22H32ClNO5/c1-12-5-6-18-21(3,11-29-13(2)25)9-14(23)10-22(18,4)16(12)8-17(26)15-7-19(27)24-20(15)28/h14-18,26H,1,5-11H2,2-4H3,(H,24,27,28)/t14-,15+,16-,17-,18-,21-,22+/m0/s1