N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-methylphenyl)adamantane-1-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-methylphenyl)adamantane-1-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(p-tolyl)adamantane-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-methylphenyl)-1-adamantanecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-methylphenyl)adamantane-1-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(p-tolyl)adamantane-1-carboxamide Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NCC5COC6=CC=CC=C6O5

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NCC5COC6=CC=CC=C6O5

InChI

InChI=1S/C27H31NO3/c1-18-6-8-21(9-7-18)26-11-19-10-20(12-26)14-27(13-19,17-26)25(29)28-15-22-16-30-23-4-2-3-5-24(23)31-22/h2-9,19-20,22H,10-17H2,1H3,(H,28,29)