[(1S,3R,7S,8S,8aR)-7-methyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-3-[[(phenylmethyl)amino]methyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate

Systemtic Name: [(1S,3R,7S,8S,8aR)-7-methyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-3-[[(phenylmethyl)amino]methyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate Openeye Name: [(1S,3R,7S,8S,8aR)-3-[(benzylamino)methyl]-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-7-methyl-3-[[(phenylmethyl)amino]methyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester IUPAC Name: [(1S,3R,7S,8S,8aR)-3-[(benzylamino)methyl]-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid [(1S,3R,7S,8S,8aR)-3-[(benzylamino)methyl]-8-[2-[(2R,4R)-4-hydroxy-6-keto-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester Formula: C32H45NO5 MolecularWeight: 523.7034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)CNCC4=CC=CC=C4

Isomeric SMILES

CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)CNCC4=CC=CC=C4

InChI

InChI=1S/C32H45NO5/c1-5-32(3,4)31(36)38-28-16-23(20-33-19-22-9-7-6-8-10-22)15-24-12-11-21(2)27(30(24)28)14-13-26-17-25(34)18-29(35)37-26/h6-12,15,21,23,25-28,30,33-34H,5,13-14,16-20H2,1-4H3/t21-,23-,25+,26+,27-,28-,30-/m0/s1