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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2/c1-4-6-12-22-21(25)24(13-5-2)17-19-10-8-14-23(19)16-18-9-7-11-20(15-18)26-3/h5,7-11,14-15H,2,4,6,12-13,16-17H2,1,3H3,(H,22,25)