(3S,4S)-4-(1-cyclopentyl-3-ethyl-indazol-6-yl)-3-(hydroxymethyl)-3-methyl-pyrrolidine-1-carboxylate

Systemtic Name: (3S,4S)-4-(1-cyclopentyl-3-ethyl-indazol-6-yl)-3-(hydroxymethyl)-3-methyl-pyrrolidine-1-carboxylate Openeye Name: (3S,4S)-4-(1-cyclopentyl-3-ethyl-indazol-6-yl)-3-(hydroxymethyl)-3-methyl-pyrrolidine-1-carboxylate CAS Name: (3S,4S)-4-(1-cyclopentyl-3-ethyl-6-indazolyl)-3-(hydroxymethyl)-3-methyl-1-pyrrolidinecarboxylate IUPAC Name: (3S,4S)-4-(1-cyclopentyl-3-ethylindazol-6-yl)-3-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate Traditional Name: (3S,4S)-4-(1-cyclopentyl-3-ethyl-indazol-6-yl)-3-methyl-3-methylol-pyrrolidine-1-carboxylate Formula: C21H28N3O3- MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C=CC(=C2)C3CN(CC3(C)CO)C(=O)[O-])C4CCCC4

Isomeric SMILES

CCC1=NN(C2=C1C=CC(=C2)[C@@H]3CN(C[C@@]3(C)CO)C(=O)[O-])C4CCCC4

InChI

InChI=1S/C21H29N3O3/c1-3-18-16-9-8-14(10-19(16)24(22-18)15-6-4-5-7-15)17-11-23(20(26)27)12-21(17,2)13-25/h8-10,15,17,25H,3-7,11-13H2,1-2H3,(H,26,27)/p-1/t17-,21-/m0/s1