[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid [4-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: 2-(adamantane-1-carbonylamino)-3-methyl-butyric acid [4-(2-ketopyrrolidino)phenyl] ester Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=C(C=C1)N2CCCC2=O)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)OC1=CC=C(C=C1)N2CCCC2=O)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H34N2O4/c1-16(2)23(27-25(31)26-13-17-10-18(14-26)12-19(11-17)15-26)24(30)32-21-7-5-20(6-8-21)28-9-3-4-22(28)29/h5-8,16-19,23H,3-4,9-15H2,1-2H3,(H,27,31)