1-[(4-butylphenyl)methyl]-3-(4-chloranyl-2,5-dimethyl-phenyl)-1-heptyl-urea

Systemtic Name: 1-[(4-butylphenyl)methyl]-3-(4-chloranyl-2,5-dimethyl-phenyl)-1-heptyl-urea Openeye Name: 1-[(4-butylphenyl)methyl]-3-(4-chloro-2,5-dimethyl-phenyl)-1-heptyl-urea CAS Name: 1-[(4-butylphenyl)methyl]-3-(4-chloro-2,5-dimethylphenyl)-1-heptylurea IUPAC Name: 1-[(4-butylphenyl)methyl]-3-(4-chloro-2,5-dimethylphenyl)-1-heptylurea Traditional Name: 1-(4-butylbenzyl)-3-(4-chloro-2,5-dimethyl-phenyl)-1-heptyl-urea Formula: C27H39ClN2O MolecularWeight: 443.06436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)CCCC)C(=O)NC2=C(C=C(C(=C2)C)Cl)C

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)CCCC)C(=O)NC2=C(C=C(C(=C2)C)Cl)C

InChI

InChI=1S/C27H39ClN2O/c1-5-7-9-10-11-17-30(20-24-15-13-23(14-16-24)12-8-6-2)27(31)29-26-19-21(3)25(28)18-22(26)4/h13-16,18-19H,5-12,17,20H2,1-4H3,(H,29,31)