(phenylmethyl) 4-[3-(4-cyanophenoxy)-3-oxidanylidene-prop-1-en-2-yl]oxy-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]butanoate

Systemtic Name: (phenylmethyl) 4-[3-(4-cyanophenoxy)-3-oxidanylidene-prop-1-en-2-yl]oxy-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]butanoate Openeye Name: benzyl 4-[1-(4-cyanophenoxy)carbonylvinyloxy]-3-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]butanoate CAS Name: 4-[3-(4-cyanophenoxy)-3-oxoprop-1-en-2-yl]oxy-3-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(4-cyanophenoxy)-3-oxoprop-1-en-2-yl]oxy-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoate Traditional Name: 4-[1-(4-cyanophenoxy)carbonylvinyloxy]-3-[[1-(4-pyridyl)isonipecotoyl]amino]butyric acid benzyl ester Formula: C32H32N4O6 MolecularWeight: 568.61968

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)OC1=CC=C(C=C1)C#N)OCC(CC(=O)OCC2=CC=CC=C2)NC(=O)C3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

C=C(C(=O)OC1=CC=C(C=C1)C#N)OCC(CC(=O)OCC2=CC=CC=C2)NC(=O)C3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C32H32N4O6/c1-23(32(39)42-29-9-7-24(20-33)8-10-29)40-22-27(19-30(37)41-21-25-5-3-2-4-6-25)35-31(38)26-13-17-36(18-14-26)28-11-15-34-16-12-28/h2-12,15-16,26-27H,1,13-14,17-19,21-22H2,(H,35,38)