1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-[[(2-methylphenyl)methylamino]methyl]-1-phenyl-urea

Systemtic Name: 1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-[[(2-methylphenyl)methylamino]methyl]-1-phenyl-urea Openeye Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-[(o-tolylmethylamino)methyl]-1-phenyl-urea CAS Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-[[(2-methylphenyl)methylamino]methyl]-1-phenylurea IUPAC Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[[(2-methylphenyl)methylamino]methyl]-1-phenylurea Traditional Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-[[(2-methylbenzyl)amino]methyl]-1-phenyl-urea Formula: C28H30N4O3 MolecularWeight: 470.5628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNCNC(=O)N(C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CNCNC(=O)N(C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4O3/c1-19-9-7-8-10-21(19)17-30-18-31-27(34)32(22-11-5-4-6-12-22)25-23-15-20(16-29)13-14-24(23)35-28(2,3)26(25)33/h4-15,25-26,30,33H,17-18H2,1-3H3,(H,31,34)