2-diethylaminoethyl 2-[3-chloranyl-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoate; ethanoic acid

Systemtic Name: 2-diethylaminoethyl 2-[3-chloranyl-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoate; ethanoic acid Openeye Name: acetic acid; 2-diethylaminoethyl 2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoate CAS Name: acetic acid; 2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoic acid 2-diethylaminoethyl ester IUPAC Name: acetic acid; 2-diethylaminoethyl 2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoate Traditional Name: acetic acid; 2-[3-chloro-4-(3-pyrrolin-1-yl)phenyl]propionic acid 2-diethylaminoethyl ester Formula: C21H31ClN2O4 MolecularWeight: 410.93484

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C(C)C1=CC(=C(C=C1)N2CC=CC2)Cl.CC(=O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C(C)C1=CC(=C(C=C1)N2CC=CC2)Cl.CC(=O)O

InChI

InChI=1S/C19H27ClN2O2.C2H4O2/c1-4-21(5-2)12-13-24-19(23)15(3)16-8-9-18(17(20)14-16)22-10-6-7-11-22;1-2(3)4/h6-9,14-15H,4-5,10-13H2,1-3H3;1H3,(H,3,4)