(3-methyl-2-phenyl-butyl)azanium; 2-(4-phenylphenyl)propanoate

Systemtic Name: (3-methyl-2-phenyl-butyl)azanium; 2-(4-phenylphenyl)propanoate Openeye Name: (3-methyl-2-phenyl-butyl)ammonium; 2-(4-phenylphenyl)propanoate CAS Name: (3-methyl-2-phenylbutyl)ammonium; 2-(4-phenylphenyl)propanoate IUPAC Name: (3-methyl-2-phenylbutyl)azanium; 2-(4-phenylphenyl)propanoate Traditional Name: (3-methyl-2-phenyl-butyl)ammonium; 2-(4-phenylphenyl)propionate Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C[NH3+])C1=CC=CC=C1.CC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)C(C[NH3+])C1=CC=CC=C1.CC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C15H14O2.C11H17N/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13;1-9(2)11(8-12)10-6-4-3-5-7-10/h2-11H,1H3,(H,16,17);3-7,9,11H,8,12H2,1-2H3