[9-[[1-[(E)-3-methyl-3-(propanoylamino)but-1-enyl]-5-(2-methylpropoxy)pyrazol-4-yl]carbonylamino]-3-bicyclo[3.3.1]nonanyl]methyl carbamate

Systemtic Name: [9-[[1-[(E)-3-methyl-3-(propanoylamino)but-1-enyl]-5-(2-methylpropoxy)pyrazol-4-yl]carbonylamino]-3-bicyclo[3.3.1]nonanyl]methyl carbamate Openeye Name: [9-[[5-isobutoxy-1-[(E)-3-methyl-3-(propanoylamino)but-1-enyl]pyrazole-4-carbonyl]amino]-3-bicyclo[3.3.1]nonanyl]methyl carbamate CAS Name: carbamic acid [9-[[[1-[(E)-3-methyl-3-(1-oxopropylamino)but-1-enyl]-5-(2-methylpropoxy)-4-pyrazolyl]-oxomethyl]amino]-3-bicyclo[3.3.1]nonanyl]methyl ester IUPAC Name: [9-[[1-[(E)-3-methyl-3-(propanoylamino)but-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carbonyl]amino]-3-bicyclo[3.3.1]nonanyl]methyl carbamate Traditional Name: carbamic acid [9-[[5-isobutoxy-1-[(E)-3-methyl-3-propionamido-but-1-enyl]pyrazole-4-carbonyl]amino]-3-bicyclo[3.3.1]nonanyl]methyl ester Formula: C27H43N5O5 MolecularWeight: 517.66082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C)(C)C=CN1C(=C(C=N1)C(=O)NC2C3CCCC2CC(C3)COC(=O)N)OCC(C)C

Isomeric SMILES

CCC(=O)NC(C)(C)/C=C/N1C(=C(C=N1)C(=O)NC2C3CCCC2CC(C3)COC(=O)N)OCC(C)C

InChI

InChI=1S/C27H43N5O5/c1-6-22(33)31-27(4,5)10-11-32-25(36-15-17(2)3)21(14-29-32)24(34)30-23-19-8-7-9-20(23)13-18(12-19)16-37-26(28)35/h10-11,14,17-20,23H,6-9,12-13,15-16H2,1-5H3,(H2,28,35)(H,30,34)(H,31,33)/b11-10+