ethyl 5-chloranyl-2-[3-(diethylamino)propyl]-3-phenyl-isoindole-1-carboxylate hydrochloride

Systemtic Name: ethyl 5-chloranyl-2-[3-(diethylamino)propyl]-3-phenyl-isoindole-1-carboxylate hydrochloride Openeye Name: ethyl 5-chloro-2-[3-(diethylamino)propyl]-3-phenyl-isoindole-1-carboxylate hydrochloride CAS Name: 5-chloro-2-[3-(diethylamino)propyl]-3-phenyl-1-isoindolecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 5-chloro-2-[3-(diethylamino)propyl]-3-phenylisoindole-1-carboxylate hydrochloride Traditional Name: 5-chloro-2-[3-(diethylamino)propyl]-3-phenyl-isoindole-1-carboxylic acid ethyl ester hydrochloride Formula: C24H30Cl2N2O2 MolecularWeight: 449.4132

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN1C(=C2C=C(C=CC2=C1C(=O)OCC)Cl)C3=CC=CC=C3.Cl

Isomeric SMILES

CCN(CC)CCCN1C(=C2C=C(C=CC2=C1C(=O)OCC)Cl)C3=CC=CC=C3.Cl

InChI

InChI=1S/C24H29ClN2O2.ClH/c1-4-26(5-2)15-10-16-27-22(18-11-8-7-9-12-18)21-17-19(25)13-14-20(21)23(27)24(28)29-6-3;/h7-9,11-14,17H,4-6,10,15-16H2,1-3H3;1H