(5S,7R)-N-(1-adamantylmethyl)-3-(4-methylphenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-(1-adamantylmethyl)-3-(4-methylphenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(1-adamantylmethyl)-3-(p-tolyl)adamantane-1-carboxamide CAS Name: (5S,7R)-N-(1-adamantylmethyl)-3-(4-methylphenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-(1-adamantylmethyl)-3-(4-methylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-N-(1-adamantylmethyl)-3-(p-tolyl)adamantane-1-carboxamide Formula: C29H39NO MolecularWeight: 417.62606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NCC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)NCC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C29H39NO/c1-19-2-4-25(5-3-19)28-13-23-9-24(14-28)16-29(15-23,17-28)26(31)30-18-27-10-20-6-21(11-27)8-22(7-20)12-27/h2-5,20-24H,6-18H2,1H3,(H,30,31)/t20?,21?,22?,23-,24+,27?,28?,29?