4-(5-cyano-2-phenylmethoxy-phenoxy)-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]butanoic acid

Systemtic Name: 4-(5-cyano-2-phenylmethoxy-phenoxy)-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]butanoic acid Openeye Name: 4-(2-benzyloxy-5-cyano-phenoxy)-3-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]butanoic acid CAS Name: 4-(5-cyano-2-phenylmethoxyphenoxy)-3-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]butanoic acid IUPAC Name: 4-(5-cyano-2-phenylmethoxyphenoxy)-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoic acid Traditional Name: 4-(2-benzoxy-5-cyano-phenoxy)-3-[[1-(4-pyridyl)isonipecotoyl]amino]butyric acid Formula: C29H30N4O5 MolecularWeight: 514.5723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC(=O)O)COC2=C(C=CC(=C2)C#N)OCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC(CC(=O)O)COC2=C(C=CC(=C2)C#N)OCC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C29H30N4O5/c30-18-22-6-7-26(37-19-21-4-2-1-3-5-21)27(16-22)38-20-24(17-28(34)35)32-29(36)23-10-14-33(15-11-23)25-8-12-31-13-9-25/h1-9,12-13,16,23-24H,10-11,14-15,17,19-20H2,(H,32,36)(H,34,35)