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

Systemtic Name: 1-butyl-3-(3,5-dimethoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 1-butyl-3-(3,5-dimethoxyphenyl)-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 1-butyl-3-(3,5-dimethoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 1-butyl-3-(3,5-dimethoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1-butyl-3-(3,5-dimethoxyphenyl)-1-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O3/c1-5-6-13-29(26(30)27-22-15-24(31-3)17-25(16-22)32-4)19-23-12-9-14-28(23)18-21-11-8-7-10-20(21)2/h7-12,14-17H,5-6,13,18-19H2,1-4H3,(H,27,30)