(phenylmethyl) 4-(3-cyanophenoxy)-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]butanoate

Systemtic Name: (phenylmethyl) 4-(3-cyanophenoxy)-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]butanoate Openeye Name: benzyl 4-(3-cyanophenoxy)-3-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]butanoate CAS Name: 4-(3-cyanophenoxy)-3-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-cyanophenoxy)-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoate Traditional Name: 4-(3-cyanophenoxy)-3-[[1-(4-pyridyl)isonipecotoyl]amino]butyric acid benzyl ester Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC(=O)OCC2=CC=CC=C2)COC3=CC=CC(=C3)C#N)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC(CC(=O)OCC2=CC=CC=C2)COC3=CC=CC(=C3)C#N)C4=CC=NC=C4

InChI

InChI=1S/C29H30N4O4/c30-19-23-7-4-8-27(17-23)36-21-25(18-28(34)37-20-22-5-2-1-3-6-22)32-29(35)24-11-15-33(16-12-24)26-9-13-31-14-10-26/h1-10,13-14,17,24-25H,11-12,15-16,18,20-21H2,(H,32,35)