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

Systemtic Name: 4-(2-cyano-2-methyl-pentoxy)benzoic acid; 1-octan-4-yloxy-4-phenyl-benzene Openeye Name: 4-(2-cyano-2-methyl-pentoxy)benzoic acid; 1-phenyl-4-(1-propylpentoxy)benzene CAS Name: 4-(2-cyano-2-methylpentoxy)benzoic acid; 1-octan-4-yloxy-4-phenylbenzene IUPAC Name: 4-(2-cyano-2-methylpentoxy)benzoic acid; 1-octan-4-yloxy-4-phenylbenzene Traditional Name: 4-(2-cyano-2-methyl-pentoxy)benzoic acid; 1-phenyl-4-(1-propylpentoxy)benzene Formula: C34H43NO4 MolecularWeight: 529.70952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(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/C20H26O.C14H17NO3/c1-3-5-12-19(9-4-2)21-20-15-13-18(14-16-20)17-10-7-6-8-11-17;1-3-8-14(2,9-15)10-18-12-6-4-11(5-7-12)13(16)17/h6-8,10-11,13-16,19H,3-5,9,12H2,1-2H3;4-7H,3,8,10H2,1-2H3,(H,16,17)