3-(2-ethoxyphenyl)-1-heptyl-1-[[4-(2-methyl-1-oxidanyl-propan-2-yl)oxyphenyl]methyl]urea

Systemtic Name: 3-(2-ethoxyphenyl)-1-heptyl-1-[[4-(2-methyl-1-oxidanyl-propan-2-yl)oxyphenyl]methyl]urea Openeye Name: 3-(2-ethoxyphenyl)-1-heptyl-1-[[4-(2-hydroxy-1,1-dimethyl-ethoxy)phenyl]methyl]urea CAS Name: 3-(2-ethoxyphenyl)-1-heptyl-1-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea IUPAC Name: 3-(2-ethoxyphenyl)-1-heptyl-1-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea Traditional Name: 1-heptyl-1-[4-(2-hydroxy-1,1-dimethyl-ethoxy)benzyl]-3-o-phenetyl-urea Formula: C27H40N2O4 MolecularWeight: 456.6175

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)OC(C)(C)CO)C(=O)NC2=CC=CC=C2OCC

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)OC(C)(C)CO)C(=O)NC2=CC=CC=C2OCC

InChI

InChI=1S/C27H40N2O4/c1-5-7-8-9-12-19-29(26(31)28-24-13-10-11-14-25(24)32-6-2)20-22-15-17-23(18-16-22)33-27(3,4)21-30/h10-11,13-18,30H,5-9,12,19-21H2,1-4H3,(H,28,31)