methyl N-[(E)-4-[4-[[5-(aminocarbonyloxymethyl)-2-adamantyl]carbamoyl]-5-(2-methylpropoxy)pyrazol-1-yl]-2-methyl-but-3-en-2-yl]carbamate

Systemtic Name: methyl N-[(E)-4-[4-[[5-(aminocarbonyloxymethyl)-2-adamantyl]carbamoyl]-5-(2-methylpropoxy)pyrazol-1-yl]-2-methyl-but-3-en-2-yl]carbamate Openeye Name: methyl N-[(E)-3-[4-[[5-(carbamoyloxymethyl)-2-adamantyl]carbamoyl]-5-isobutoxy-pyrazol-1-yl]-1,1-dimethyl-allyl]carbamate CAS Name: N-[(E)-4-[4-[[[5-(carbamoyloxymethyl)-2-adamantyl]amino]-oxomethyl]-5-(2-methylpropoxy)-1-pyrazolyl]-2-methylbut-3-en-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[(E)-4-[4-[[5-(carbamoyloxymethyl)-2-adamantyl]carbamoyl]-5-(2-methylpropoxy)pyrazol-1-yl]-2-methylbut-3-en-2-yl]carbamate Traditional Name: N-[(E)-3-[4-[[5-(carbamoyloxymethyl)-2-adamantyl]carbamoyl]-5-isobutoxy-pyrazol-1-yl]-1,1-dimethyl-allyl]carbamic acid methyl ester Formula: C27H41N5O6 MolecularWeight: 531.64434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=NN1C=CC(C)(C)NC(=O)OC)C(=O)NC2C3CC4CC2CC(C4)(C3)COC(=O)N

Isomeric SMILES

CC(C)COC1=C(C=NN1/C=C/C(C)(C)NC(=O)OC)C(=O)NC2C3CC4CC2CC(C4)(C3)COC(=O)N

InChI

InChI=1S/C27H41N5O6/c1-16(2)14-37-23-20(13-29-32(23)7-6-26(3,4)31-25(35)36-5)22(33)30-21-18-8-17-9-19(21)12-27(10-17,11-18)15-38-24(28)34/h6-7,13,16-19,21H,8-12,14-15H2,1-5H3,(H2,28,34)(H,30,33)(H,31,35)/b7-6+