ethyl 2-[(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]ethanoate Openeye Name: ethyl 2-[(4R,7S)-7-isopropyl-4-methyl-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl]acetate CAS Name: 2-[(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]acetate Traditional Name: 2-[(4R,7S)-7-isopropyl-4-methyl-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl]acetic acid ethyl ester Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C(CCC2C(C)C)C)C(=N1)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C([C@@H](CC[C@H]2C(C)C)C)C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O2/c1-5-25-18(24)13-23-21-17(14(2)3)12-11-15(4)19(21)20(22-23)16-9-7-6-8-10-16/h6-10,14-15,17H,5,11-13H2,1-4H3/t15-,17+/m1/s1