3-(2-ethoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea

Systemtic Name: 3-(2-ethoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea Openeye Name: 3-(2-ethoxyphenyl)-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 3-(2-ethoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-1-pentylurea IUPAC Name: 3-(2-ethoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea Traditional Name: 1-amyl-1-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-3-o-phenetyl-urea Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NC3=CC=CC=C3OCC

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NC3=CC=CC=C3OCC

InChI

InChI=1S/C27H35N3O2/c1-4-6-11-18-30(27(31)28-25-16-9-10-17-26(25)32-5-2)21-24-15-12-19-29(24)20-23-14-8-7-13-22(23)3/h7-10,12-17,19H,4-6,11,18,20-21H2,1-3H3,(H,28,31)