1-[2-[4-[(Z)-1-(4-ethynylphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl]pyrrolidine

Systemtic Name: 1-[2-[4-[(Z)-1-(4-ethynylphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl]pyrrolidine Openeye Name: 1-[2-[4-[(Z)-1-(4-ethynylphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl]pyrrolidine CAS Name: 1-[2-[4-[(Z)-1-(4-ethynylphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine IUPAC Name: 1-[2-[4-[(Z)-1-(4-ethynylphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine Traditional Name: 1-[2-[4-[(Z)-1-(4-ethynylphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl]pyrrolidine Formula: C30H31NO MolecularWeight: 421.57324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)C#C)C2=CC=C(C=C2)OCCN3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC/C(=C(\C1=CC=C(C=C1)C#C)/C2=CC=C(C=C2)OCCN3CCCC3)/C4=CC=CC=C4

InChI

InChI=1S/C30H31NO/c1-3-24-12-14-26(15-13-24)30(29(4-2)25-10-6-5-7-11-25)27-16-18-28(19-17-27)32-23-22-31-20-8-9-21-31/h1,5-7,10-19H,4,8-9,20-23H2,2H3/b30-29-