N-(1-adamantylmethyl)-3-bromanyl-4-ethoxy-5-methoxy-benzamide

Systemtic Name: N-(1-adamantylmethyl)-3-bromanyl-4-ethoxy-5-methoxy-benzamide Openeye Name: N-(1-adamantylmethyl)-3-bromo-4-ethoxy-5-methoxy-benzamide CAS Name: N-(1-adamantylmethyl)-3-bromo-4-ethoxy-5-methoxybenzamide IUPAC Name: N-(1-adamantylmethyl)-3-bromo-4-ethoxy-5-methoxybenzamide Traditional Name: N-(1-adamantylmethyl)-3-bromo-4-ethoxy-5-methoxy-benzamide Formula: C21H28BrNO3 MolecularWeight: 422.35592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)NCC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)NCC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C21H28BrNO3/c1-3-26-19-17(22)7-16(8-18(19)25-2)20(24)23-12-21-9-13-4-14(10-21)6-15(5-13)11-21/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,23,24)