2-[1-(4-cyanophenyl)carbonyl-4-phenylmethoxy-2-pyrrolidin-2-ylcarbonyl-piperidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[1-(4-cyanophenyl)carbonyl-4-phenylmethoxy-2-pyrrolidin-2-ylcarbonyl-piperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[4-benzyloxy-1-(4-cyanobenzoyl)-2-(pyrrolidine-2-carbonyl)-4-piperidyl]oxy]acetic acid CAS Name: 2-[[1-[(4-cyanophenyl)-oxomethyl]-2-[oxo(2-pyrrolidinyl)methyl]-4-phenylmethoxy-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[1-(4-cyanobenzoyl)-4-phenylmethoxy-2-(pyrrolidine-2-carbonyl)piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[4-benzoxy-1-(4-cyanobenzoyl)-2-prolyl-4-piperidyl]oxy]acetic acid Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)C2CC(CCN2C(=O)C3=CC=C(C=C3)C#N)(OCC4=CC=CC=C4)OCC(=O)O

Isomeric SMILES

C1CC(NC1)C(=O)C2CC(CCN2C(=O)C3=CC=C(C=C3)C#N)(OCC4=CC=CC=C4)OCC(=O)O

InChI

InChI=1S/C27H29N3O6/c28-16-19-8-10-21(11-9-19)26(34)30-14-12-27(36-18-24(31)32,35-17-20-5-2-1-3-6-20)15-23(30)25(33)22-7-4-13-29-22/h1-3,5-6,8-11,22-23,29H,4,7,12-15,17-18H2,(H,31,32)