2-diethylaminoethyl 2-oxidanyl-2-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propanoate hydrochloride

Systemtic Name: 2-diethylaminoethyl 2-oxidanyl-2-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propanoate hydrochloride Openeye Name: 2-diethylaminoethyl 2-hydroxy-2-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propanoate hydrochloride CAS Name: 2-hydroxy-2-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 2-hydroxy-2-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propanoate hydrochloride Traditional Name: 2-hydroxy-2-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propionic acid 2-diethylaminoethyl ester hydrochloride Formula: C22H32ClN3O3 MolecularWeight: 421.96078

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C(C)(C1=NN(C2=C1CCCC2)C3=CC=CC=C3)O.Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C(C)(C1=NN(C2=C1CCCC2)C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C22H31N3O3.ClH/c1-4-24(5-2)15-16-28-21(26)22(3,27)20-18-13-9-10-14-19(18)25(23-20)17-11-7-6-8-12-17;/h6-8,11-12,27H,4-5,9-10,13-16H2,1-3H3;1H