2-[1-[(2S)-1-(4-cyanophenyl)carbonylpyrrolidin-2-yl]carbonylpiperidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[1-[(2S)-1-(4-cyanophenyl)carbonylpyrrolidin-2-yl]carbonylpiperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[1-[(2S)-1-(4-cyanobenzoyl)pyrrolidine-2-carbonyl]-4-piperidyl]oxy]acetic acid CAS Name: 2-[[1-[[(2S)-1-[(4-cyanophenyl)-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[1-[(2S)-1-(4-cyanobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[1-[(2S)-1-(4-cyanobenzoyl)prolyl]-4-piperidyl]oxy]acetic acid Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)C#N)C(=O)N3CCC(CC3)OCC(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=C(C=C2)C#N)C(=O)N3CCC(CC3)OCC(=O)O

InChI

InChI=1S/C20H23N3O5/c21-12-14-3-5-15(6-4-14)19(26)23-9-1-2-17(23)20(27)22-10-7-16(8-11-22)28-13-18(24)25/h3-6,16-17H,1-2,7-11,13H2,(H,24,25)/t17-/m0/s1