[(2R)-1-[2-[[1-[[(3aR,5R,6S,6aR)-2,2-dimethyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]piperidin-4-yl]amino]ethanoyl]-2-cyano-4-methyl-pyrrolidin-3-yl] 4-methoxybenzoate

Systemtic Name: [(2R)-1-[2-[[1-[[(3aR,5R,6S,6aR)-2,2-dimethyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]piperidin-4-yl]amino]ethanoyl]-2-cyano-4-methyl-pyrrolidin-3-yl] 4-methoxybenzoate Openeye Name: [(2R)-1-[2-[[1-[[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-4-piperidyl]amino]acetyl]-2-cyano-4-methyl-pyrrolidin-3-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2R)-1-[2-[[1-[[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-4-piperidinyl]amino]-1-oxoethyl]-2-cyano-4-methyl-3-pyrrolidinyl] ester IUPAC Name: [(2R)-1-[2-[[1-[[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]piperidin-4-yl]amino]acetyl]-2-cyano-4-methylpyrrolidin-3-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(2R)-1-[2-[[1-[[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-4-piperidyl]amino]acetyl]-2-cyano-4-methyl-pyrrolidin-3-yl] ester Formula: C29H40N4O8 MolecularWeight: 572.6499

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C1OC(=O)C2=CC=C(C=C2)OC)C#N)C(=O)CNC3CCN(CC3)CC4C(C5C(O4)OC(O5)(C)C)O

Isomeric SMILES

CC1CN([C@@H](C1OC(=O)C2=CC=C(C=C2)OC)C#N)C(=O)CNC3CCN(CC3)C[C@@H]4[C@@H]([C@@H]5[C@H](O4)OC(O5)(C)C)O

InChI

InChI=1S/C29H40N4O8/c1-17-15-33(21(13-30)25(17)39-27(36)18-5-7-20(37-4)8-6-18)23(34)14-31-19-9-11-32(12-10-19)16-22-24(35)26-28(38-22)41-29(2,3)40-26/h5-8,17,19,21-22,24-26,28,31,35H,9-12,14-16H2,1-4H3/t17?,21-,22-,24+,25?,26-,28-/m1/s1