5-(4-chlorophenyl)-3-ethoxy-2-(4-methylphenyl)-1-benzoxepine

Systemtic Name: 5-(4-chlorophenyl)-3-ethoxy-2-(4-methylphenyl)-1-benzoxepine Openeye Name: 5-(4-chlorophenyl)-3-ethoxy-2-(p-tolyl)-1-benzoxepine CAS Name: 5-(4-chlorophenyl)-3-ethoxy-2-(4-methylphenyl)-1-benzoxepin IUPAC Name: 5-(4-chlorophenyl)-3-ethoxy-2-(4-methylphenyl)-1-benzoxepine Traditional Name: 5-(4-chlorophenyl)-3-ethoxy-2-(p-tolyl)-1-benzoxepin Formula: C25H21ClO2 MolecularWeight: 388.88604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(OC2=CC=CC=C2C(=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C(OC2=CC=CC=C2C(=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C

InChI

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