N-[(2S)-1-[(4-bromanyl-3-methyl-phenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methyl-cyclohexane-1-carboxamide

Systemtic Name: N-[(2S)-1-[(4-bromanyl-3-methyl-phenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methyl-cyclohexane-1-carboxamide Openeye Name: N-[(1S)-1-[(4-bromo-3-methyl-phenyl)carbamoyl]-3-methyl-butyl]-4-methyl-cyclohexanecarboxamide CAS Name: N-[(2S)-1-(4-bromo-3-methylanilino)-4-methyl-1-oxopentan-2-yl]-4-methyl-1-cyclohexanecarboxamide IUPAC Name: N-[(2S)-1-(4-bromo-3-methylanilino)-4-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide Traditional Name: N-[(1S)-1-[(4-bromo-3-methyl-phenyl)carbamoyl]-3-methyl-butyl]-4-methyl-cyclohexanecarboxamide Formula: C21H31BrN2O2 MolecularWeight: 423.38704

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)NC(CC(C)C)C(=O)NC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N[C@@H](CC(C)C)C(=O)NC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C21H31BrN2O2/c1-13(2)11-19(24-20(25)16-7-5-14(3)6-8-16)21(26)23-17-9-10-18(22)15(4)12-17/h9-10,12-14,16,19H,5-8,11H2,1-4H3,(H,23,26)(H,24,25)/t14?,16?,19-/m0/s1