2-cyclohexyl-2-[3-[[4-(6-ethoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]ethanoic acid

Systemtic Name: 2-cyclohexyl-2-[3-[[4-(6-ethoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-cyclohexyl-2-[3-[[4-(6-ethoxy-1,2-benzoxazol-3-yl)-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]acetic acid CAS Name: 2-cyclohexyl-2-[3-[[4-(6-ethoxy-1,2-benzoxazol-3-yl)-1-piperidinyl]methyl]-4-phenyl-1-pyrrolidinyl]acetic acid IUPAC Name: 2-cyclohexyl-2-[3-[[4-(6-ethoxy-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid Traditional Name: 2-cyclohexyl-2-[3-[[4-(6-ethoxyindoxazen-3-yl)piperidino]methyl]-4-phenyl-pyrrolidino]acetic acid Formula: C33H43N3O4 MolecularWeight: 545.71222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=NO2)C3CCN(CC3)CC4CN(CC4C5=CC=CC=C5)C(C6CCCCC6)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=NO2)C3CCN(CC3)CC4CN(CC4C5=CC=CC=C5)C(C6CCCCC6)C(=O)O

InChI

InChI=1S/C33H43N3O4/c1-2-39-27-13-14-28-30(19-27)40-34-31(28)24-15-17-35(18-16-24)20-26-21-36(22-29(26)23-9-5-3-6-10-23)32(33(37)38)25-11-7-4-8-12-25/h3,5-6,9-10,13-14,19,24-26,29,32H,2,4,7-8,11-12,15-18,20-22H2,1H3,(H,37,38)