2-[(2S)-4-(1-cyclopentyl-3-ethyl-indazol-6-yl)-2-(phenylmethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[(2S)-4-(1-cyclopentyl-3-ethyl-indazol-6-yl)-2-(phenylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[(2S)-2-benzyl-4-(1-cyclopentyl-3-ethyl-indazol-6-yl)piperazin-1-yl]acetic acid CAS Name: 2-[(2S)-4-(1-cyclopentyl-3-ethyl-6-indazolyl)-2-(phenylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[(2S)-2-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)piperazin-1-yl]acetic acid Traditional Name: 2-[(2S)-2-benzyl-4-(1-cyclopentyl-3-ethyl-indazol-6-yl)piperazino]acetic acid Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C=CC(=C2)N3CCN(C(C3)CC4=CC=CC=C4)CC(=O)O)C5CCCC5

Isomeric SMILES

CCC1=NN(C2=C1C=CC(=C2)N3CCN([C@H](C3)CC4=CC=CC=C4)CC(=O)O)C5CCCC5

InChI

InChI=1S/C27H34N4O2/c1-2-25-24-13-12-22(17-26(24)31(28-25)21-10-6-7-11-21)29-14-15-30(19-27(32)33)23(18-29)16-20-8-4-3-5-9-20/h3-5,8-9,12-13,17,21,23H,2,6-7,10-11,14-16,18-19H2,1H3,(H,32,33)/t23-/m0/s1