1-(5-hexyl-2-phenylmethoxy-phenyl)-3-methyl-urea; 2-(4-phenylmethoxyphenyl)ethanamine

Systemtic Name: 1-(5-hexyl-2-phenylmethoxy-phenyl)-3-methyl-urea; 2-(4-phenylmethoxyphenyl)ethanamine Openeye Name: 1-(2-benzyloxy-5-hexyl-phenyl)-3-methyl-urea; 2-(4-benzyloxyphenyl)ethanamine CAS Name: 1-(5-hexyl-2-phenylmethoxyphenyl)-3-methylurea; 2-(4-phenylmethoxyphenyl)ethanamine IUPAC Name: 1-(5-hexyl-2-phenylmethoxyphenyl)-3-methylurea; 2-(4-phenylmethoxyphenyl)ethanamine Traditional Name: 1-(2-benzoxy-5-hexyl-phenyl)-3-methyl-urea; 2-(4-benzoxyphenyl)ethylamine Formula: C36H45N3O3 MolecularWeight: 567.7608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)NC(=O)NC.C1=CC=C(C=C1)COC2=CC=C(C=C2)CCN

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)NC(=O)NC.C1=CC=C(C=C1)COC2=CC=C(C=C2)CCN

InChI

InChI=1S/C21H28N2O2.C15H17NO/c1-3-4-5-7-10-17-13-14-20(19(15-17)23-21(24)22-2)25-16-18-11-8-6-9-12-18;16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h6,8-9,11-15H,3-5,7,10,16H2,1-2H3,(H2,22,23,24);1-9H,10-12,16H2