tert-butyl N-[(1S,2R)-5-(4-bromophenyl)-2-methyl-1-(4-methylphenyl)-3-oxidanylidene-pentyl]carbamate

Systemtic Name: tert-butyl N-[(1S,2R)-5-(4-bromophenyl)-2-methyl-1-(4-methylphenyl)-3-oxidanylidene-pentyl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-5-(4-bromophenyl)-2-methyl-3-oxo-1-(p-tolyl)pentyl]carbamate CAS Name: N-[(1S,2R)-5-(4-bromophenyl)-2-methyl-1-(4-methylphenyl)-3-oxopentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S,2R)-5-(4-bromophenyl)-2-methyl-1-(4-methylphenyl)-3-oxopentyl]carbamate Traditional Name: N-[(1S,2R)-5-(4-bromophenyl)-3-keto-2-methyl-1-(p-tolyl)pentyl]carbamic acid tert-butyl ester Formula: C24H30BrNO3 MolecularWeight: 460.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C)C(=O)CCC2=CC=C(C=C2)Br)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]([C@@H](C)C(=O)CCC2=CC=C(C=C2)Br)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H30BrNO3/c1-16-6-11-19(12-7-16)22(26-23(28)29-24(3,4)5)17(2)21(27)15-10-18-8-13-20(25)14-9-18/h6-9,11-14,17,22H,10,15H2,1-5H3,(H,26,28)/t17-,22-/m0/s1