1-[2-[4-[(4E)-4-[(4-chlorophenyl)methylidene]-7-methyl-3,5-dihydro-2H-1-benzoxepin-5-yl]phenoxy]ethyl]pyrrolidine

Systemtic Name: 1-[2-[4-[(4E)-4-[(4-chlorophenyl)methylidene]-7-methyl-3,5-dihydro-2H-1-benzoxepin-5-yl]phenoxy]ethyl]pyrrolidine Openeye Name: 1-[2-[4-[(4E)-4-[(4-chlorophenyl)methylene]-7-methyl-3,5-dihydro-2H-1-benzoxepin-5-yl]phenoxy]ethyl]pyrrolidine CAS Name: 1-[2-[4-[(4E)-4-[(4-chlorophenyl)methylidene]-7-methyl-3,5-dihydro-2H-1-benzoxepin-5-yl]phenoxy]ethyl]pyrrolidine IUPAC Name: 1-[2-[4-[(4E)-4-[(4-chlorophenyl)methylidene]-7-methyl-3,5-dihydro-2H-1-benzoxepin-5-yl]phenoxy]ethyl]pyrrolidine Traditional Name: 1-[2-[4-[(4E)-4-(4-chlorobenzylidene)-7-methyl-3,5-dihydro-2H-1-benzoxepin-5-yl]phenoxy]ethyl]pyrrolidine Formula: C30H32ClNO2 MolecularWeight: 474.03358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCCC(=CC3=CC=C(C=C3)Cl)C2C4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)OCC/C(=C\C3=CC=C(C=C3)Cl)/C2C4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C30H32ClNO2/c1-22-4-13-29-28(20-22)30(25(14-18-34-29)21-23-5-9-26(31)10-6-23)24-7-11-27(12-8-24)33-19-17-32-15-2-3-16-32/h4-13,20-21,30H,2-3,14-19H2,1H3/b25-21+