2-diethylaminoethyl 2-(4-heptoxyphenyl)-2-oxidanyl-2-phenyl-ethanoate hydrochloride

Systemtic Name: 2-diethylaminoethyl 2-(4-heptoxyphenyl)-2-oxidanyl-2-phenyl-ethanoate hydrochloride Openeye Name: 2-diethylaminoethyl 2-(4-heptoxyphenyl)-2-hydroxy-2-phenyl-acetate hydrochloride CAS Name: 2-(4-heptoxyphenyl)-2-hydroxy-2-phenylacetic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 2-(4-heptoxyphenyl)-2-hydroxy-2-phenylacetate hydrochloride Traditional Name: 2-(4-heptoxyphenyl)-2-hydroxy-2-phenyl-acetic acid 2-diethylaminoethyl ester hydrochloride Formula: C27H40ClNO4 MolecularWeight: 478.0638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OCCN(CC)CC)O.Cl

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OCCN(CC)CC)O.Cl

InChI

InChI=1S/C27H39NO4.ClH/c1-4-7-8-9-13-21-31-25-18-16-24(17-19-25)27(30,23-14-11-10-12-15-23)26(29)32-22-20-28(5-2)6-3;/h10-12,14-19,30H,4-9,13,20-22H2,1-3H3;1H