(E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-N-cyclododecyl-prop-2-enamide

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-N-cyclododecyl-prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-N-cyclododecyl-prop-2-enamide CAS Name: (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-cyclododecyl-2-propenamide IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-cyclododecylprop-2-enamide Traditional Name: (E)-3-(4-benzoxy-3-bromo-5-methoxy-phenyl)-N-cyclododecyl-acrylamide Formula: C29H38BrNO3 MolecularWeight: 528.52092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)NC2CCCCCCCCCCC2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)NC2CCCCCCCCCCC2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C29H38BrNO3/c1-33-27-21-24(20-26(30)29(27)34-22-23-14-10-9-11-15-23)18-19-28(32)31-25-16-12-7-5-3-2-4-6-8-13-17-25/h9-11,14-15,18-21,25H,2-8,12-13,16-17,22H2,1H3,(H,31,32)/b19-18+