2-[3-[[4-(benzotriazol-1-yl)piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]-2-cyclohexyl-ethanoic acid

Systemtic Name: 2-[3-[[4-(benzotriazol-1-yl)piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]-2-cyclohexyl-ethanoic acid Openeye Name: 2-[3-[[4-(benzotriazol-1-yl)-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]-2-cyclohexyl-acetic acid CAS Name: 2-[3-[[4-(1-benzotriazolyl)-1-piperidinyl]methyl]-4-phenyl-1-pyrrolidinyl]-2-cyclohexylacetic acid IUPAC Name: 2-[3-[[4-(benzotriazol-1-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid Traditional Name: 2-[3-[[4-(benzotriazol-1-yl)piperidino]methyl]-4-phenyl-pyrrolidino]-2-cyclohexyl-acetic acid Formula: C30H39N5O2 MolecularWeight: 501.66296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)O)N2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CCC(CC1)C(C(=O)O)N2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C30H39N5O2/c36-30(37)29(23-11-5-2-6-12-23)34-20-24(26(21-34)22-9-3-1-4-10-22)19-33-17-15-25(16-18-33)35-28-14-8-7-13-27(28)31-32-35/h1,3-4,7-10,13-14,23-26,29H,2,5-6,11-12,15-21H2,(H,36,37)