4-(2-cyano-2-methyl-pentoxy)benzoic acid; 1-decan-4-yloxy-4-phenyl-benzene

Systemtic Name: 4-(2-cyano-2-methyl-pentoxy)benzoic acid; 1-decan-4-yloxy-4-phenyl-benzene Openeye Name: 4-(2-cyano-2-methyl-pentoxy)benzoic acid; 1-phenyl-4-(1-propylheptoxy)benzene CAS Name: 4-(2-cyano-2-methylpentoxy)benzoic acid; 1-decan-4-yloxy-4-phenylbenzene IUPAC Name: 4-(2-cyano-2-methylpentoxy)benzoic acid; 1-decan-4-yloxy-4-phenylbenzene Traditional Name: 4-(2-cyano-2-methyl-pentoxy)benzoic acid; 1-phenyl-4-(1-propylheptoxy)benzene Formula: C36H47NO4 MolecularWeight: 557.76268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC)OC1=CC=C(C=C1)C2=CC=CC=C2.CCCC(C)(COC1=CC=C(C=C1)C(=O)O)C#N

Isomeric SMILES

CCCCCCC(CCC)OC1=CC=C(C=C1)C2=CC=CC=C2.CCCC(C)(COC1=CC=C(C=C1)C(=O)O)C#N

InChI

InChI=1S/C22H30O.C14H17NO3/c1-3-5-6-10-14-21(11-4-2)23-22-17-15-20(16-18-22)19-12-8-7-9-13-19;1-3-8-14(2,9-15)10-18-12-6-4-11(5-7-12)13(16)17/h7-9,12-13,15-18,21H,3-6,10-11,14H2,1-2H3;4-7H,3,8,10H2,1-2H3,(H,16,17)