3-(2,6-dimethylphenyl)-1-phenethyl-1-[(2E)-2-(phenylmethylidene)heptyl]urea

Systemtic Name: 3-(2,6-dimethylphenyl)-1-phenethyl-1-[(2E)-2-(phenylmethylidene)heptyl]urea Openeye Name: 1-[(2E)-2-benzylideneheptyl]-3-(2,6-dimethylphenyl)-1-phenethyl-urea CAS Name: 3-(2,6-dimethylphenyl)-1-phenethyl-1-[(2E)-2-(phenylmethylene)heptyl]urea IUPAC Name: 1-[(2E)-2-benzylideneheptyl]-3-(2,6-dimethylphenyl)-1-phenethylurea Traditional Name: 1-[(E)-2-amyl-3-phenyl-allyl]-3-(2,6-dimethylphenyl)-1-phenethyl-urea Formula: C31H38N2O MolecularWeight: 454.64622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=CC=CC=C1)CN(CCC2=CC=CC=C2)C(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCCCC/C(=C\C1=CC=CC=C1)/CN(CCC2=CC=CC=C2)C(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C31H38N2O/c1-4-5-8-20-29(23-28-18-11-7-12-19-28)24-33(22-21-27-16-9-6-10-17-27)31(34)32-30-25(2)14-13-15-26(30)3/h6-7,9-19,23H,4-5,8,20-22,24H2,1-3H3,(H,32,34)/b29-23+