1-[2-[4-[(4E)-4-[(4-chlorophenyl)methylidene]-7,8-dimethyl-3,5-dihydro-2H-1-benzoxepin-5-yl]phenoxy]ethyl]pyrrolidine

Systemtic Name: 1-[2-[4-[(4E)-4-[(4-chlorophenyl)methylidene]-7,8-dimethyl-3,5-dihydro-2H-1-benzoxepin-5-yl]phenoxy]ethyl]pyrrolidine Openeye Name: 1-[2-[4-[(4E)-4-[(4-chlorophenyl)methylene]-7,8-dimethyl-3,5-dihydro-2H-1-benzoxepin-5-yl]phenoxy]ethyl]pyrrolidine CAS Name: 1-[2-[4-[(4E)-4-[(4-chlorophenyl)methylidene]-7,8-dimethyl-3,5-dihydro-2H-1-benzoxepin-5-yl]phenoxy]ethyl]pyrrolidine IUPAC Name: 1-[2-[4-[(4E)-4-[(4-chlorophenyl)methylidene]-7,8-dimethyl-3,5-dihydro-2H-1-benzoxepin-5-yl]phenoxy]ethyl]pyrrolidine Traditional Name: 1-[2-[4-[(4E)-4-(4-chlorobenzylidene)-7,8-dimethyl-3,5-dihydro-2H-1-benzoxepin-5-yl]phenoxy]ethyl]pyrrolidine Formula: C31H34ClNO2 MolecularWeight: 488.06016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(C(=CC3=CC=C(C=C3)Cl)CCO2)C4=CC=C(C=C4)OCCN5CCCC5)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(/C(=C/C3=CC=C(C=C3)Cl)/CCO2)C4=CC=C(C=C4)OCCN5CCCC5)C

InChI

InChI=1S/C31H34ClNO2/c1-22-19-29-30(20-23(22)2)35-17-13-26(21-24-5-9-27(32)10-6-24)31(29)25-7-11-28(12-8-25)34-18-16-33-14-3-4-15-33/h5-12,19-21,31H,3-4,13-18H2,1-2H3/b26-21+