[4-(2-cyano-2-methyl-hexoxy)phenyl] 4-decoxybenzoate

Systemtic Name: [4-(2-cyano-2-methyl-hexoxy)phenyl] 4-decoxybenzoate Openeye Name: [4-(2-cyano-2-methyl-hexoxy)phenyl] 4-decoxybenzoate CAS Name: 4-decoxybenzoic acid [4-(2-cyano-2-methylhexoxy)phenyl] ester IUPAC Name: [4-(2-cyano-2-methylhexoxy)phenyl] 4-decoxybenzoate Traditional Name: 4-decoxybenzoic acid [4-(2-cyano-2-methyl-hexoxy)phenyl] ester Formula: C31H43NO4 MolecularWeight: 493.67742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC(C)(CCCC)C#N

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC(C)(CCCC)C#N

InChI

InChI=1S/C31H43NO4/c1-4-6-8-9-10-11-12-13-23-34-27-16-14-26(15-17-27)30(33)36-29-20-18-28(19-21-29)35-25-31(3,24-32)22-7-5-2/h14-21H,4-13,22-23,25H2,1-3H3