pentylbenzene; 2-pentyl-5-phenethyl-benzenecarbonitrile

Systemtic Name: pentylbenzene; 2-pentyl-5-phenethyl-benzenecarbonitrile Openeye Name: pentylbenzene; 2-pentyl-5-phenethyl-benzonitrile CAS Name: pentylbenzene; 2-pentyl-5-phenethylbenzonitrile IUPAC Name: pentylbenzene; 2-pentyl-5-phenethylbenzonitrile Traditional Name: amylbenzene; 2-amyl-5-phenethyl-benzonitrile Formula: C31H39N MolecularWeight: 425.64806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC=C1.CCCCCC1=C(C=C(C=C1)CCC2=CC=CC=C2)C#N

Isomeric SMILES

CCCCCC1=CC=CC=C1.CCCCCC1=C(C=C(C=C1)CCC2=CC=CC=C2)C#N

InChI

InChI=1S/C20H23N.C11H16/c1-2-3-5-10-19-14-13-18(15-20(19)16-21)12-11-17-8-6-4-7-9-17;1-2-3-5-8-11-9-6-4-7-10-11/h4,6-9,13-15H,2-3,5,10-12H2,1H3;4,6-7,9-10H,2-3,5,8H2,1H3