2-adamantyl-[2-methyl-1-oxidanylidene-1-(phenethylamino)-3-pyridin-4-yl-propan-2-yl]carbamic acid

Systemtic Name: 2-adamantyl-[2-methyl-1-oxidanylidene-1-(phenethylamino)-3-pyridin-4-yl-propan-2-yl]carbamic acid Openeye Name: 2-adamantyl-[1-methyl-2-oxo-2-(phenethylamino)-1-(4-pyridylmethyl)ethyl]carbamic acid CAS Name: 2-adamantyl-[2-methyl-1-oxo-1-(phenethylamino)-3-pyridin-4-ylpropan-2-yl]carbamic acid IUPAC Name: 2-adamantyl-[2-methyl-1-oxo-1-(phenethylamino)-3-pyridin-4-ylpropan-2-yl]carbamic acid Traditional Name: 2-adamantyl-[2-keto-1-methyl-2-(phenethylamino)-1-(4-pyridylmethyl)ethyl]carbamic acid Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=NC=C1)(C(=O)NCCC2=CC=CC=C2)N(C3C4CC5CC(C4)CC3C5)C(=O)O

Isomeric SMILES

CC(CC1=CC=NC=C1)(C(=O)NCCC2=CC=CC=C2)N(C3C4CC5CC(C4)CC3C5)C(=O)O

InChI

InChI=1S/C28H35N3O3/c1-28(18-20-7-10-29-11-8-20,26(32)30-12-9-19-5-3-2-4-6-19)31(27(33)34)25-23-14-21-13-22(16-23)17-24(25)15-21/h2-8,10-11,21-25H,9,12-18H2,1H3,(H,30,32)(H,33,34)