3-chloranyl-2-(4-ethoxyphenyl)-5-(2-methylphenyl)-1-benzoxepine

Systemtic Name: 3-chloranyl-2-(4-ethoxyphenyl)-5-(2-methylphenyl)-1-benzoxepine Openeye Name: 3-chloro-2-(4-ethoxyphenyl)-5-(o-tolyl)-1-benzoxepine CAS Name: 3-chloro-2-(4-ethoxyphenyl)-5-(2-methylphenyl)-1-benzoxepin IUPAC Name: 3-chloro-2-(4-ethoxyphenyl)-5-(2-methylphenyl)-1-benzoxepine Traditional Name: 3-chloro-5-(o-tolyl)-2-p-phenetyl-1-benzoxepin Formula: C25H21ClO2 MolecularWeight: 388.88604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C=C(C3=CC=CC=C3O2)C4=CC=CC=C4C)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C=C(C3=CC=CC=C3O2)C4=CC=CC=C4C)Cl

InChI

InChI=1S/C25H21ClO2/c1-3-27-19-14-12-18(13-15-19)25-23(26)16-22(20-9-5-4-8-17(20)2)21-10-6-7-11-24(21)28-25/h4-16H,3H2,1-2H3