N-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromanyl-4-methoxy-phenyl)-N-cyclopentyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromanyl-4-methoxy-phenyl)-N-cyclopentyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromo-4-methoxy-phenyl)-N-cyclopentyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromo-4-methoxyphenyl)-N-cyclopentylpropanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromo-4-methoxyphenyl)-N-cyclopentylpropanamide Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-N-cyclopentyl-N-piperonyl-propionamide Formula: C23H26BrNO4 MolecularWeight: 460.36084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4)Br

InChI

InChI=1S/C23H26BrNO4/c1-27-20-9-6-16(12-19(20)24)8-11-23(26)25(18-4-2-3-5-18)14-17-7-10-21-22(13-17)29-15-28-21/h6-7,9-10,12-13,18H,2-5,8,11,14-15H2,1H3