2-methylpropyl (2E,4Z)-5-[(2R,4S,5S)-2-[(S)-acetyloxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-5-yl]penta-2,4-dienoate

Systemtic Name: 2-methylpropyl (2E,4Z)-5-[(2R,4S,5S)-2-[(S)-acetyloxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-5-yl]penta-2,4-dienoate Openeye Name: isobutyl (2E,4Z)-5-[(3S,4S,6R)-6-[(S)-acetoxy-(6-methoxy-4-quinolyl)methyl]quinuclidin-3-yl]penta-2,4-dienoate CAS Name: (2E,4Z)-5-[(2R,4S,5S)-2-[(S)-acetyloxy-(6-methoxy-4-quinolinyl)methyl]-1-azabicyclo[2.2.2]octan-5-yl]penta-2,4-dienoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (2E,4Z)-5-[(2R,4S,5S)-2-[(S)-acetyloxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-5-yl]penta-2,4-dienoate Traditional Name: (2E,4Z)-5-[(3S,4S,6R)-6-[(S)-acetoxy-(6-methoxy-4-quinolyl)methyl]quinuclidin-3-yl]penta-2,4-dienoic acid isobutyl ester Formula: C29H36N2O5 MolecularWeight: 492.60654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C=CC=CC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC(=O)C

Isomeric SMILES

CC(C)COC(=O)/C=C/C=C\[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)OC(=O)C

InChI

InChI=1S/C29H36N2O5/c1-19(2)18-35-28(33)8-6-5-7-22-17-31-14-12-21(22)15-27(31)29(36-20(3)32)24-11-13-30-26-10-9-23(34-4)16-25(24)26/h5-11,13,16,19,21-22,27,29H,12,14-15,17-18H2,1-4H3/b7-5-,8-6+/t21-,22-,27+,29-/m0/s1