1-[4-[1-(2,4,4-trimethylpentan-2-ylamino)ethyl]phenyl]urea

Systemtic Name: 1-[4-[1-(2,4,4-trimethylpentan-2-ylamino)ethyl]phenyl]urea Openeye Name: [4-[1-(1,1,3,3-tetramethylbutylamino)ethyl]phenyl]urea CAS Name: [4-[1-(2,4,4-trimethylpentan-2-ylamino)ethyl]phenyl]urea IUPAC Name: [4-[1-(2,4,4-trimethylpentan-2-ylamino)ethyl]phenyl]urea Traditional Name: [4-[1-(1,1,3,3-tetramethylbutylamino)ethyl]phenyl]urea Formula: C17H29N3O MolecularWeight: 291.43166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)N)NC(C)(C)CC(C)(C)C

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)N)NC(C)(C)CC(C)(C)C

InChI

InChI=1S/C17H29N3O/c1-12(20-17(5,6)11-16(2,3)4)13-7-9-14(10-8-13)19-15(18)21/h7-10,12,20H,11H2,1-6H3,(H3,18,19,21)