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

Systemtic Name: 3-(1-adamantyl)-1-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enyl-urea Openeye Name: 3-(1-adamantyl)-1-allyl-1-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]urea CAS Name: 3-(1-adamantyl)-1-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]-1-prop-2-enylurea IUPAC Name: 3-(1-adamantyl)-1-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enylurea Traditional Name: 3-(1-adamantyl)-1-allyl-1-[(1-m-anisylpyrrol-2-yl)methyl]urea Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C=CC=C2CN(CC=C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC(=C1)CN2C=CC=C2CN(CC=C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H35N3O2/c1-3-9-30(26(31)28-27-15-21-11-22(16-27)13-23(12-21)17-27)19-24-7-5-10-29(24)18-20-6-4-8-25(14-20)32-2/h3-8,10,14,21-23H,1,9,11-13,15-19H2,2H3,(H,28,31)