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

Systemtic Name: 3-(3,5-dimethoxyphenyl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea Openeye Name: 3-(3,5-dimethoxyphenyl)-1-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 3-(3,5-dimethoxyphenyl)-1-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-1-pentylurea IUPAC Name: 3-(3,5-dimethoxyphenyl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea Traditional Name: 1-amyl-3-(3,5-dimethoxyphenyl)-1-[[1-(3-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(=C2)C)C(=O)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)NC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C27H35N3O3/c1-5-6-7-13-30(27(31)28-23-16-25(32-3)18-26(17-23)33-4)20-24-12-9-14-29(24)19-22-11-8-10-21(2)15-22/h8-12,14-18H,5-7,13,19-20H2,1-4H3,(H,28,31)