3-tert-butyl-1-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enyl-urea

Systemtic Name: 3-tert-butyl-1-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enyl-urea Openeye Name: 1-allyl-3-tert-butyl-1-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]urea CAS Name: 3-tert-butyl-1-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]-1-prop-2-enylurea IUPAC Name: 3-tert-butyl-1-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enylurea Traditional Name: 1-allyl-3-tert-butyl-1-[(1-m-anisylpyrrol-2-yl)methyl]urea Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CC=C)CC1=CC=CN1CC2=CC(=CC=C2)OC

Isomeric SMILES

CC(C)(C)NC(=O)N(CC=C)CC1=CC=CN1CC2=CC(=CC=C2)OC

InChI

InChI=1S/C21H29N3O2/c1-6-12-24(20(25)22-21(2,3)4)16-18-10-8-13-23(18)15-17-9-7-11-19(14-17)26-5/h6-11,13-14H,1,12,15-16H2,2-5H3,(H,22,25)