ethanedioate; 2-methylpropylbenzene; 2-piperidin-1-ylbutanenitrile

Systemtic Name: ethanedioate; 2-methylpropylbenzene; 2-piperidin-1-ylbutanenitrile Openeye Name: isobutylbenzene; oxalate; 2-(1-piperidyl)butanenitrile CAS Name: 2-methylpropylbenzene; oxalate; 2-(1-piperidinyl)butanenitrile IUPAC Name: 2-methylpropylbenzene; oxalate; 2-piperidin-1-ylbutanenitrile Traditional Name: isobutylbenzene; oxalate; 2-piperidinobutyronitrile Formula: C21H30N2O4-2 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)N1CCCCC1.CC(C)CC1=CC=CC=C1.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCC(C#N)N1CCCCC1.CC(C)CC1=CC=CC=C1.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C10H14.C9H16N2.C2H2O4/c1-9(2)8-10-6-4-3-5-7-10;1-2-9(8-10)11-6-4-3-5-7-11;3-1(4)2(5)6/h3-7,9H,8H2,1-2H3;9H,2-7H2,1H3;(H,3,4)(H,5,6)/p-2