N-[(2S)-1-[2-(2-methoxy-5-methyl-phenyl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[2-(2-methoxy-5-methyl-phenyl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-[2-(2-methoxy-5-methyl-phenyl)ethylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-1-[2-(2-methoxy-5-methyl-phenyl)ethylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CCNC(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CCNC(=O)[C@H](C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H38N2O3/c1-16(2)23(24(29)27-8-7-21-9-17(3)5-6-22(21)31-4)28-25(30)26-13-18-10-19(14-26)12-20(11-18)15-26/h5-6,9,16,18-20,23H,7-8,10-15H2,1-4H3,(H,27,29)(H,28,30)/t18?,19?,20?,23-,26?/m0/s1