2-[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-phenyl-but-1-enyl]phenoxy]-N-ethyl-ethanamine

Systemtic Name: 2-[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-phenyl-but-1-enyl]phenoxy]-N-ethyl-ethanamine Openeye Name: 2-[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-phenyl-but-1-enyl]phenoxy]-N-ethyl-ethanamine CAS Name: 2-[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-phenylbut-1-enyl]phenoxy]-N-ethylethanamine IUPAC Name: 2-[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-phenylbut-1-enyl]phenoxy]-N-ethylethanamine Traditional Name: 2-[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-phenyl-but-1-enyl]phenoxy]ethyl-ethyl-amine Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCNCC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCNCC)/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H29NO3/c1-3-24(22-12-15-25-26(18-22)31-19-30-25)27(20-8-6-5-7-9-20)21-10-13-23(14-11-21)29-17-16-28-4-2/h5-15,18,28H,3-4,16-17,19H2,1-2H3/b27-24-