4-(2-methylphenyl)-5-(4-methyl-3-phenylmethoxy-phenyl)-5-oxidanylidene-pentanoate

Systemtic Name: 4-(2-methylphenyl)-5-(4-methyl-3-phenylmethoxy-phenyl)-5-oxidanylidene-pentanoate Openeye Name: 5-(3-benzyloxy-4-methyl-phenyl)-4-(o-tolyl)-5-oxo-pentanoate CAS Name: 4-(2-methylphenyl)-5-(4-methyl-3-phenylmethoxyphenyl)-5-oxopentanoate IUPAC Name: 4-(2-methylphenyl)-5-(4-methyl-3-phenylmethoxyphenyl)-5-oxopentanoate Traditional Name: 5-(3-benzoxy-4-methyl-phenyl)-5-keto-4-(o-tolyl)valerate Formula: C26H25O4- MolecularWeight: 401.4743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(CCC(=O)[O-])C2=CC=CC=C2C)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(CCC(=O)[O-])C2=CC=CC=C2C)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26O4/c1-18-8-6-7-11-22(18)23(14-15-25(27)28)26(29)21-13-12-19(2)24(16-21)30-17-20-9-4-3-5-10-20/h3-13,16,23H,14-15,17H2,1-2H3,(H,27,28)/p-1