benzoic acid; 2,4,4-trimethylpentan-2-amine

Systemtic Name: benzoic acid; 2,4,4-trimethylpentan-2-amine Openeye Name: benzoic acid; 2,4,4-trimethylpentan-2-amine CAS Name: benzoic acid; 2,4,4-trimethyl-2-pentanamine IUPAC Name: benzoic acid; 2,4,4-trimethylpentan-2-amine Traditional Name: benzoic acid; 1,1,3,3-tetramethylbutylamine Formula: C15H25NO2 MolecularWeight: 251.3645

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)N.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)(C)CC(C)(C)N.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C8H19N.C7H6O2/c1-7(2,3)6-8(4,5)9;8-7(9)6-4-2-1-3-5-6/h6,9H2,1-5H3;1-5H,(H,8,9)