(4-heptoxyphenyl) 3-cyano-4-(2-decoxyphenyl)carbonyl-benzoate

Systemtic Name: (4-heptoxyphenyl) 3-cyano-4-(2-decoxyphenyl)carbonyl-benzoate Openeye Name: (4-heptoxyphenyl) 3-cyano-4-(2-decoxybenzoyl)benzoate CAS Name: 3-cyano-4-[(2-decoxyphenyl)-oxomethyl]benzoic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 3-cyano-4-(2-decoxybenzoyl)benzoate Traditional Name: 3-cyano-4-(2-decoxybenzoyl)benzoic acid (4-heptoxyphenyl) ester Formula: C38H47NO5 MolecularWeight: 597.78348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=CC=C1C(=O)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCOC1=CC=CC=C1C(=O)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCC)C#N

InChI

InChI=1S/C38H47NO5/c1-3-5-7-9-10-11-13-17-27-43-36-19-15-14-18-35(36)37(40)34-25-20-30(28-31(34)29-39)38(41)44-33-23-21-32(22-24-33)42-26-16-12-8-6-4-2/h14-15,18-25,28H,3-13,16-17,26-27H2,1-2H3