3-(4-chloranyl-2,6-dimethyl-phenyl)-1-heptyl-1-[[4-(3-methylbutyl)phenyl]methyl]urea

Systemtic Name: 3-(4-chloranyl-2,6-dimethyl-phenyl)-1-heptyl-1-[[4-(3-methylbutyl)phenyl]methyl]urea Openeye Name: 3-(4-chloro-2,6-dimethyl-phenyl)-1-heptyl-1-[(4-isopentylphenyl)methyl]urea CAS Name: 3-(4-chloro-2,6-dimethylphenyl)-1-heptyl-1-[[4-(3-methylbutyl)phenyl]methyl]urea IUPAC Name: 3-(4-chloro-2,6-dimethylphenyl)-1-heptyl-1-[[4-(3-methylbutyl)phenyl]methyl]urea Traditional Name: 3-(4-chloro-2,6-dimethyl-phenyl)-1-heptyl-1-(4-isoamylbenzyl)urea Formula: C28H41ClN2O MolecularWeight: 457.09094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)CCC(C)C)C(=O)NC2=C(C=C(C=C2C)Cl)C

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)CCC(C)C)C(=O)NC2=C(C=C(C=C2C)Cl)C

InChI

InChI=1S/C28H41ClN2O/c1-6-7-8-9-10-17-31(20-25-15-13-24(14-16-25)12-11-21(2)3)28(32)30-27-22(4)18-26(29)19-23(27)5/h13-16,18-19,21H,6-12,17,20H2,1-5H3,(H,30,32)