N-[2-(1-adamantylcarbamoylamino)-5-methoxy-phenyl]-3,5-ditert-butyl-4-oxidanyl-benzamide

Systemtic Name: N-[2-(1-adamantylcarbamoylamino)-5-methoxy-phenyl]-3,5-ditert-butyl-4-oxidanyl-benzamide Openeye Name: N-[2-(1-adamantylcarbamoylamino)-5-methoxy-phenyl]-3,5-ditert-butyl-4-hydroxy-benzamide CAS Name: N-[2-[[(1-adamantylamino)-oxomethyl]amino]-5-methoxyphenyl]-3,5-ditert-butyl-4-hydroxybenzamide IUPAC Name: N-[2-(1-adamantylcarbamoylamino)-5-methoxyphenyl]-3,5-ditert-butyl-4-hydroxybenzamide Traditional Name: N-[2-(1-adamantylcarbamoylamino)-5-methoxy-phenyl]-3,5-ditert-butyl-4-hydroxy-benzamide Formula: C33H45N3O4 MolecularWeight: 547.7281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NC2=C(C=CC(=C2)OC)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NC2=C(C=CC(=C2)OC)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C33H45N3O4/c1-31(2,3)24-13-22(14-25(28(24)37)32(4,5)6)29(38)34-27-15-23(40-7)8-9-26(27)35-30(39)36-33-16-19-10-20(17-33)12-21(11-19)18-33/h8-9,13-15,19-21,37H,10-12,16-18H2,1-7H3,(H,34,38)(H2,35,36,39)