3-[1-(2-azanylethanoyl)-5-tert-butyl-3-methoxy-6-oxidanyl-cyclohexa-2,4-dien-1-yl]-1-(2-cyclohexylethyl)-1-phenyl-urea

Systemtic Name: 3-[1-(2-azanylethanoyl)-5-tert-butyl-3-methoxy-6-oxidanyl-cyclohexa-2,4-dien-1-yl]-1-(2-cyclohexylethyl)-1-phenyl-urea Openeye Name: 3-[1-(2-aminoacetyl)-5-tert-butyl-6-hydroxy-3-methoxy-cyclohexa-2,4-dien-1-yl]-1-(2-cyclohexylethyl)-1-phenyl-urea CAS Name: 3-[1-(2-amino-1-oxoethyl)-5-tert-butyl-6-hydroxy-3-methoxy-1-cyclohexa-2,4-dienyl]-1-(2-cyclohexylethyl)-1-phenylurea IUPAC Name: 3-[1-(2-aminoacetyl)-5-tert-butyl-6-hydroxy-3-methoxycyclohexa-2,4-dien-1-yl]-1-(2-cyclohexylethyl)-1-phenylurea Traditional Name: 3-(5-tert-butyl-1-glycyl-6-hydroxy-3-methoxy-cyclohexa-2,4-dien-1-yl)-1-(2-cyclohexylethyl)-1-phenyl-urea Formula: C28H41N3O4 MolecularWeight: 483.64284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(C1O)(C(=O)CN)NC(=O)N(CCC2CCCCC2)C3=CC=CC=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(C1O)(C(=O)CN)NC(=O)N(CCC2CCCCC2)C3=CC=CC=C3)OC

InChI

InChI=1S/C28H41N3O4/c1-27(2,3)23-17-22(35-4)18-28(25(23)33,24(32)19-29)30-26(34)31(21-13-9-6-10-14-21)16-15-20-11-7-5-8-12-20/h6,9-10,13-14,17-18,20,25,33H,5,7-8,11-12,15-16,19,29H2,1-4H3,(H,30,34)