3-(2-methylphenyl)-1-(2-methylpropyl)-1-[2-(phenylmethylidene)heptyl]urea

Systemtic Name: 3-(2-methylphenyl)-1-(2-methylpropyl)-1-[2-(phenylmethylidene)heptyl]urea Openeye Name: 1-(2-benzylideneheptyl)-1-isobutyl-3-(o-tolyl)urea CAS Name: 3-(2-methylphenyl)-1-(2-methylpropyl)-1-[2-(phenylmethylene)heptyl]urea IUPAC Name: 1-(2-benzylideneheptyl)-3-(2-methylphenyl)-1-(2-methylpropyl)urea Traditional Name: 1-(2-amyl-3-phenyl-allyl)-1-isobutyl-3-(o-tolyl)urea Formula: C26H36N2O MolecularWeight: 392.57684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=CC=CC=C1)CN(CC(C)C)C(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCCCCC(=CC1=CC=CC=C1)CN(CC(C)C)C(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C26H36N2O/c1-5-6-8-16-24(18-23-14-9-7-10-15-23)20-28(19-21(2)3)26(29)27-25-17-12-11-13-22(25)4/h7,9-15,17-18,21H,5-6,8,16,19-20H2,1-4H3,(H,27,29)