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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCNC(=O)N(C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNCNC(=O)N(C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4O3/c1-19-9-11-20(12-10-19)17-30-18-31-27(34)32(22-7-5-4-6-8-22)25-23-15-21(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)