3-[(2S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)-3-oxidanyl-butan-2-yl]-1-methyl-1-phenethyl-urea

Systemtic Name: 3-[(2S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)-3-oxidanyl-butan-2-yl]-1-methyl-1-phenethyl-urea Openeye Name: 3-[(1S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-2-hydroxy-1-methyl-propyl]-1-methyl-1-phenethyl-urea CAS Name: 3-[(2S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)-3-hydroxybutan-2-yl]-1-methyl-1-phenethylurea IUPAC Name: 3-[(2S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)-3-hydroxybutan-2-yl]-1-methyl-1-phenethylurea Traditional Name: 3-[(1S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-2-hydroxy-1-methyl-propyl]-1-methyl-1-phenethyl-urea Formula: C27H28ClN3O2 MolecularWeight: 461.98312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(C=C1)Cl)(C2=CC=CC(=C2)C#N)O)NC(=O)N(C)CCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(CC1=CC=C(C=C1)Cl)(C2=CC=CC(=C2)C#N)O)NC(=O)N(C)CCC3=CC=CC=C3

InChI

InChI=1S/C27H28ClN3O2/c1-20(30-26(32)31(2)16-15-21-7-4-3-5-8-21)27(33,18-22-11-13-25(28)14-12-22)24-10-6-9-23(17-24)19-29/h3-14,17,20,33H,15-16,18H2,1-2H3,(H,30,32)/t20-,27?/m0/s1