(4-chlorophenyl)-ethyl-azanium; 3-methoxy-2-oxidanyl-3,3-diphenyl-propanoate

Systemtic Name: (4-chlorophenyl)-ethyl-azanium; 3-methoxy-2-oxidanyl-3,3-diphenyl-propanoate Openeye Name: (4-chlorophenyl)-ethyl-ammonium; 2-hydroxy-3-methoxy-3,3-diphenyl-propanoate CAS Name: (4-chlorophenyl)-ethylammonium; 2-hydroxy-3-methoxy-3,3-diphenylpropanoate IUPAC Name: (4-chlorophenyl)-ethylazanium; 2-hydroxy-3-methoxy-3,3-diphenylpropanoate Traditional Name: (4-chlorophenyl)-ethyl-ammonium; 2-hydroxy-3-methoxy-3,3-diphenyl-propionate Formula: C24H26ClNO4 MolecularWeight: 427.92054

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]C1=CC=C(C=C1)Cl.COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C(=O)[O-])O

Isomeric SMILES

CC[NH2+]C1=CC=C(C=C1)Cl.COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C(=O)[O-])O

InChI

InChI=1S/C16H16O4.C8H10ClN/c1-20-16(14(17)15(18)19,12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-10-8-5-3-7(9)4-6-8/h2-11,14,17H,1H3,(H,18,19);3-6,10H,2H2,1H3