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

Systemtic Name: 1-heptyl-1-[[4-(2-methyl-1-oxidanyl-propan-2-yl)oxyphenyl]methyl]-3-(2-phenylphenyl)urea Openeye Name: 1-heptyl-1-[[4-(2-hydroxy-1,1-dimethyl-ethoxy)phenyl]methyl]-3-(2-phenylphenyl)urea CAS Name: 1-heptyl-1-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]-3-(2-phenylphenyl)urea IUPAC Name: 1-heptyl-1-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]-3-(2-phenylphenyl)urea Traditional Name: 1-heptyl-1-[4-(2-hydroxy-1,1-dimethyl-ethoxy)benzyl]-3-(2-phenylphenyl)urea Formula: C31H40N2O3 MolecularWeight: 488.6609

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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=C2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)OC(C)(C)CO)C(=O)NC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C31H40N2O3/c1-4-5-6-7-13-22-33(23-25-18-20-27(21-19-25)36-31(2,3)24-34)30(35)32-29-17-12-11-16-28(29)26-14-9-8-10-15-26/h8-12,14-21,34H,4-7,13,22-24H2,1-3H3,(H,32,35)