ethanedioate; 2-methylpropylbenzene; 2-piperidin-1-ylbutanamide

Systemtic Name: ethanedioate; 2-methylpropylbenzene; 2-piperidin-1-ylbutanamide Openeye Name: isobutylbenzene; oxalate; 2-(1-piperidyl)butanamide CAS Name: 2-methylpropylbenzene; oxalate; 2-(1-piperidinyl)butanamide IUPAC Name: 2-methylpropylbenzene; oxalate; 2-piperidin-1-ylbutanamide Traditional Name: isobutylbenzene; oxalate; 2-piperidinobutyramide Formula: C21H32N2O5-2 MolecularWeight: 392.48918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14.C9H18N2O.C2H2O4/c1-9(2)8-10-6-4-3-5-7-10;1-2-8(9(10)12)11-6-4-3-5-7-11;3-1(4)2(5)6/h3-7,9H,8H2,1-2H3;8H,2-7H2,1H3,(H2,10,12);(H,3,4)(H,5,6)/p-2