(1-cyanoindolizin-2-yl)methyl 2-(cyclopentylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-(cyclopentylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(cyclopentanecarbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[cyclopentyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(cyclopentanecarbonylamino)-4,5-dimethoxy-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)NC(=O)C4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)NC(=O)C4CCCC4)OC

InChI

InChI=1S/C25H25N3O5/c1-31-22-11-18(20(12-23(22)32-2)27-24(29)16-7-3-4-8-16)25(30)33-15-17-14-28-10-6-5-9-21(28)19(17)13-26/h5-6,9-12,14,16H,3-4,7-8,15H2,1-2H3,(H,27,29)