ethyl 5-chloranyl-2-(2-diethylaminoethyl)-3-phenyl-isoindole-1-carboxylate hydrochloride

Systemtic Name: ethyl 5-chloranyl-2-(2-diethylaminoethyl)-3-phenyl-isoindole-1-carboxylate hydrochloride Openeye Name: ethyl 5-chloro-2-(2-diethylaminoethyl)-3-phenyl-isoindole-1-carboxylate hydrochloride CAS Name: 5-chloro-2-(2-diethylaminoethyl)-3-phenyl-1-isoindolecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 5-chloro-2-(2-diethylaminoethyl)-3-phenylisoindole-1-carboxylate hydrochloride Traditional Name: 5-chloro-2-(2-diethylaminoethyl)-3-phenyl-isoindole-1-carboxylic acid ethyl ester hydrochloride Formula: C23H28Cl2N2O2 MolecularWeight: 435.38662

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=C2C=C(C=CC2=C1C(=O)OCC)Cl)C3=CC=CC=C3.Cl

Isomeric SMILES

CCN(CC)CCN1C(=C2C=C(C=CC2=C1C(=O)OCC)Cl)C3=CC=CC=C3.Cl

InChI

InChI=1S/C23H27ClN2O2.ClH/c1-4-25(5-2)14-15-26-21(17-10-8-7-9-11-17)20-16-18(24)12-13-19(20)22(26)23(27)28-6-3;/h7-13,16H,4-6,14-15H2,1-3H3;1H