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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)[O-])C(=O)C2=C(C(=CC=C2)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)[O-])C(=O)C2=C(C(=CC=C2)OCC3=CC=CC=C3)C

InChI

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