3-(5-tert-butyl-1-ethanoyl-3-methoxy-6-oxidanyl-cyclohexa-2,4-dien-1-yl)-1-cyclohexyl-1-(phenylmethyl)urea

Systemtic Name: 3-(5-tert-butyl-1-ethanoyl-3-methoxy-6-oxidanyl-cyclohexa-2,4-dien-1-yl)-1-cyclohexyl-1-(phenylmethyl)urea Openeye Name: 3-(1-acetyl-5-tert-butyl-6-hydroxy-3-methoxy-cyclohexa-2,4-dien-1-yl)-1-benzyl-1-cyclohexyl-urea CAS Name: 3-(1-acetyl-5-tert-butyl-6-hydroxy-3-methoxy-1-cyclohexa-2,4-dienyl)-1-cyclohexyl-1-(phenylmethyl)urea IUPAC Name: 3-(1-acetyl-5-tert-butyl-6-hydroxy-3-methoxycyclohexa-2,4-dien-1-yl)-1-benzyl-1-cyclohexylurea Traditional Name: 3-(1-acetyl-5-tert-butyl-6-hydroxy-3-methoxy-cyclohexa-2,4-dien-1-yl)-1-benzyl-1-cyclohexyl-urea Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C=C(C=C(C1O)C(C)(C)C)OC)NC(=O)N(CC2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

CC(=O)C1(C=C(C=C(C1O)C(C)(C)C)OC)NC(=O)N(CC2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C27H38N2O4/c1-19(30)27(17-22(33-5)16-23(24(27)31)26(2,3)4)28-25(32)29(21-14-10-7-11-15-21)18-20-12-8-6-9-13-20/h6,8-9,12-13,16-17,21,24,31H,7,10-11,14-15,18H2,1-5H3,(H,28,32)