4-[[(2R,5S)-5-[(2S)-2-cyanopyrrolidin-1-yl]carbonylpyrrolidin-2-yl]methoxy]-3-propan-2-yl-benzoic acid

Systemtic Name: 4-[[(2R,5S)-5-[(2S)-2-cyanopyrrolidin-1-yl]carbonylpyrrolidin-2-yl]methoxy]-3-propan-2-yl-benzoic acid Openeye Name: 4-[[(2R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-2-yl]methoxy]-3-isopropyl-benzoic acid CAS Name: 4-[[(2R,5S)-5-[[(2S)-2-cyano-1-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]methoxy]-3-propan-2-ylbenzoic acid IUPAC Name: 4-[[(2R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-2-yl]methoxy]-3-propan-2-ylbenzoic acid Traditional Name: 4-[[(2R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-2-yl]methoxy]-3-isopropyl-benzoic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)C(=O)O)OCC2CCC(N2)C(=O)N3CCCC3C#N

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)C(=O)O)OC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3C#N

InChI

InChI=1S/C21H27N3O4/c1-13(2)17-10-14(21(26)27)5-8-19(17)28-12-15-6-7-18(23-15)20(25)24-9-3-4-16(24)11-22/h5,8,10,13,15-16,18,23H,3-4,6-7,9,12H2,1-2H3,(H,26,27)/t15-,16+,18+/m1/s1