2-diethylaminoethyl 2-(3-fluoranyl-4-phenyl-phenyl)propanoate; ethanoic acid

Systemtic Name: 2-diethylaminoethyl 2-(3-fluoranyl-4-phenyl-phenyl)propanoate; ethanoic acid Openeye Name: acetic acid; 2-diethylaminoethyl 2-(3-fluoro-4-phenyl-phenyl)propanoate CAS Name: acetic acid; 2-(3-fluoro-4-phenylphenyl)propanoic acid 2-diethylaminoethyl ester IUPAC Name: acetic acid; 2-diethylaminoethyl 2-(3-fluoro-4-phenylphenyl)propanoate Traditional Name: acetic acid; 2-(3-fluoro-4-phenyl-phenyl)propionic acid 2-diethylaminoethyl ester Formula: C23H30FNO4 MolecularWeight: 403.487003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C(C)C1=CC(=C(C=C1)C2=CC=CC=C2)F.CC(=O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C(C)C1=CC(=C(C=C1)C2=CC=CC=C2)F.CC(=O)O

InChI

InChI=1S/C21H26FNO2.C2H4O2/c1-4-23(5-2)13-14-25-21(24)16(3)18-11-12-19(20(22)15-18)17-9-7-6-8-10-17;1-2(3)4/h6-12,15-16H,4-5,13-14H2,1-3H3;1H3,(H,3,4)