3-(2,4-dimethoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea

Systemtic Name: 3-(2,4-dimethoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea Openeye Name: 3-(2,4-dimethoxyphenyl)-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 3-(2,4-dimethoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-1-pentylurea IUPAC Name: 3-(2,4-dimethoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea Traditional Name: 1-amyl-3-(2,4-dimethoxyphenyl)-1-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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