2-(4-chloranyl-2-methyl-phenoxy)-2-methyl-N-[(1S,3R)-5-(3-methyl-2-oxidanylidene-pyrrolidin-1-yl)-2-adamantyl]propanamide

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-2-methyl-N-[(1S,3R)-5-(3-methyl-2-oxidanylidene-pyrrolidin-1-yl)-2-adamantyl]propanamide Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-2-methyl-N-[(1S,3R)-5-(3-methyl-2-oxo-pyrrolidin-1-yl)-2-adamantyl]propanamide CAS Name: 2-(4-chloro-2-methylphenoxy)-2-methyl-N-[(1S,3R)-5-(3-methyl-2-oxo-1-pyrrolidinyl)-2-adamantyl]propanamide IUPAC Name: 2-(4-chloro-2-methylphenoxy)-2-methyl-N-[(1S,3R)-5-(3-methyl-2-oxopyrrolidin-1-yl)-2-adamantyl]propanamide Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-N-[(1S,3R)-5-(2-keto-3-methyl-pyrrolidino)-2-adamantyl]-2-methyl-propionamide Formula: C26H35ClN2O3 MolecularWeight: 459.0207

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1=O)C23CC4CC(C2)C(C(C4)C3)NC(=O)C(C)(C)OC5=C(C=C(C=C5)Cl)C

Isomeric SMILES

CC1CCN(C1=O)C23C[C@H]4CC(C2)C[C@@H](C3)C4NC(=O)C(C)(C)OC5=C(C=C(C=C5)Cl)C

InChI

InChI=1S/C26H35ClN2O3/c1-15-7-8-29(23(15)30)26-12-17-10-18(13-26)22(19(11-17)14-26)28-24(31)25(3,4)32-21-6-5-20(27)9-16(21)2/h5-6,9,15,17-19,22H,7-8,10-14H2,1-4H3,(H,28,31)/t15?,17?,18-,19+,22?,26?