2-diethylaminoethyl 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate; ethanoic acid

Systemtic Name: 2-diethylaminoethyl 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate; ethanoic acid Openeye Name: acetic acid; 2-diethylaminoethyl 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate CAS Name: acetic acid; 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoic acid 2-diethylaminoethyl ester IUPAC Name: acetic acid; 2-diethylaminoethyl 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate Traditional Name: acetic acid; 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propionic acid 2-diethylaminoethyl ester Formula: C24H29ClN2O5 MolecularWeight: 460.95046

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl.CC(=O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl.CC(=O)O

InChI

InChI=1S/C22H25ClN2O3.C2H4O2/c1-4-25(5-2)12-13-27-22(26)15(3)17-8-11-20-19(14-17)24-21(28-20)16-6-9-18(23)10-7-16;1-2(3)4/h6-11,14-15H,4-5,12-13H2,1-3H3;1H3,(H,3,4)