N-(2,4,6-tritert-butylphenyl)adamantane-1-carboxamide

Systemtic Name: N-(2,4,6-tritert-butylphenyl)adamantane-1-carboxamide Openeye Name: N-(2,4,6-tritert-butylphenyl)adamantane-1-carboxamide CAS Name: N-(2,4,6-tritert-butylphenyl)-1-adamantanecarboxamide IUPAC Name: N-(2,4,6-tritert-butylphenyl)adamantane-1-carboxamide Traditional Name: N-(2,4,6-tritert-butylphenyl)adamantane-1-carboxamide Formula: C29H45NO MolecularWeight: 423.6737

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3)C(C)(C)C

InChI

InChI=1S/C29H45NO/c1-26(2,3)21-13-22(27(4,5)6)24(23(14-21)28(7,8)9)30-25(31)29-15-18-10-19(16-29)12-20(11-18)17-29/h13-14,18-20H,10-12,15-17H2,1-9H3,(H,30,31)