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

Systemtic Name: 2-diethylaminoethyl 2-oxidanyl-2-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propanoate Openeye Name: 2-diethylaminoethyl 2-hydroxy-2-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propanoate CAS Name: 2-hydroxy-2-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 2-hydroxy-2-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propanoate Traditional Name: 2-hydroxy-2-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propionic acid 2-diethylaminoethyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3/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