N-[[4-[(2,3,4-trimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[(2,3,4-trimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[(2,3,4-trimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[oxo-[(2,3,4-trimethoxyphenyl)methylamino]methyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[(2,3,4-trimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[(2,3,4-trimethoxybenzyl)carbamoyl]benzyl]adamantane-1-carboxamide Formula: C29H36N2O5 MolecularWeight: 492.60654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CNC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)OC)OC

InChI

InChI=1S/C29H36N2O5/c1-34-24-9-8-23(25(35-2)26(24)36-3)17-30-27(32)22-6-4-18(5-7-22)16-31-28(33)29-13-19-10-20(14-29)12-21(11-19)15-29/h4-9,19-21H,10-17H2,1-3H3,(H,30,32)(H,31,33)