2-diethylaminoethyl 2-(3-phenoxyphenyl)propanoate; ethanoic acid

Systemtic Name: 2-diethylaminoethyl 2-(3-phenoxyphenyl)propanoate; ethanoic acid Openeye Name: acetic acid; 2-diethylaminoethyl 2-(3-phenoxyphenyl)propanoate CAS Name: acetic acid; 2-(3-phenoxyphenyl)propanoic acid 2-diethylaminoethyl ester IUPAC Name: acetic acid; 2-diethylaminoethyl 2-(3-phenoxyphenyl)propanoate Traditional Name: acetic acid; 2-(3-phenoxyphenyl)propionic acid 2-diethylaminoethyl ester Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C(C)C1=CC(=CC=C1)OC2=CC=CC=C2.CC(=O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C(C)C1=CC(=CC=C1)OC2=CC=CC=C2.CC(=O)O

InChI

InChI=1S/C21H27NO3.C2H4O2/c1-4-22(5-2)14-15-24-21(23)17(3)18-10-9-13-20(16-18)25-19-11-7-6-8-12-19;1-2(3)4/h6-13,16-17H,4-5,14-15H2,1-3H3;1H3,(H,3,4)