tert-butyl N-[(3R)-5-(2-bromophenyl)-1-(3,4-dimethoxyphenyl)pent-1-yn-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3R)-5-(2-bromophenyl)-1-(3,4-dimethoxyphenyl)pent-1-yn-3-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-ynyl]carbamate CAS Name: N-[(3R)-5-(2-bromophenyl)-1-(3,4-dimethoxyphenyl)pent-1-yn-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3R)-5-(2-bromophenyl)-1-(3,4-dimethoxyphenyl)pent-1-yn-3-yl]carbamate Traditional Name: N-[(1R)-1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-ynyl]carbamic acid tert-butyl ester Formula: C24H28BrNO4 MolecularWeight: 474.38742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC1=CC=CC=C1Br)C#CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CCC1=CC=CC=C1Br)C#CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C24H28BrNO4/c1-24(2,3)30-23(27)26-19(14-12-18-8-6-7-9-20(18)25)13-10-17-11-15-21(28-4)22(16-17)29-5/h6-9,11,15-16,19H,12,14H2,1-5H3,(H,26,27)/t19-/m0/s1