3-(3,5-dimethoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea

Systemtic Name: 3-(3,5-dimethoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea Openeye Name: 3-(3,5-dimethoxyphenyl)-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 3-(3,5-dimethoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-1-pentylurea IUPAC Name: 3-(3,5-dimethoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea Traditional Name: 1-amyl-3-(3,5-dimethoxyphenyl)-1-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C27H35N3O3 MolecularWeight: 449.5851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C27H35N3O3/c1-5-6-9-14-30(27(31)28-23-16-25(32-3)18-26(17-23)33-4)20-24-13-10-15-29(24)19-22-12-8-7-11-21(22)2/h7-8,10-13,15-18H,5-6,9,14,19-20H2,1-4H3,(H,28,31)