3-butyl-1-[(2R)-3-methylbutan-2-yl]-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea

Systemtic Name: 3-butyl-1-[(2R)-3-methylbutan-2-yl]-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 3-butyl-1-[(1R)-1,2-dimethylpropyl]-1-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 3-butyl-1-[(2R)-3-methylbutan-2-yl]-1-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 3-butyl-1-[(2R)-3-methylbutan-2-yl]-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 3-butyl-1-[(1R)-1,2-dimethylpropyl]-1-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C23H35N3O MolecularWeight: 369.5435

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CC1=CC=CN1CC2=CC=CC(=C2)C)C(C)C(C)C

Isomeric SMILES

CCCCNC(=O)N(CC1=CC=CN1CC2=CC=CC(=C2)C)[C@H](C)C(C)C

InChI

InChI=1S/C23H35N3O/c1-6-7-13-24-23(27)26(20(5)18(2)3)17-22-12-9-14-25(22)16-21-11-8-10-19(4)15-21/h8-12,14-15,18,20H,6-7,13,16-17H2,1-5H3,(H,24,27)/t20-/m1/s1