4-(5-azanyl-2,2-dimethyl-3-oxidanylidene-heptyl)benzenecarbonitrile; ethanedioic acid

Systemtic Name: 4-(5-azanyl-2,2-dimethyl-3-oxidanylidene-heptyl)benzenecarbonitrile; ethanedioic acid Openeye Name: 4-(5-amino-2,2-dimethyl-3-oxo-heptyl)benzonitrile; oxalic acid CAS Name: 4-(5-amino-2,2-dimethyl-3-oxoheptyl)benzonitrile; oxalic acid IUPAC Name: 4-(5-amino-2,2-dimethyl-3-oxoheptyl)benzonitrile; oxalic acid Traditional Name: 4-(5-amino-3-keto-2,2-dimethyl-heptyl)benzonitrile; oxalic acid Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)C(C)(C)CC1=CC=C(C=C1)C#N)N.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC(=O)C(C)(C)CC1=CC=C(C=C1)C#N)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H22N2O.C2H2O4/c1-4-14(18)9-15(19)16(2,3)10-12-5-7-13(11-17)8-6-12;3-1(4)2(5)6/h5-8,14H,4,9-10,18H2,1-3H3;(H,3,4)(H,5,6)