(1-cyanoindolizin-2-yl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: 1-butyl-2-(2-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: 1-butyl-6-keto-2-(2-methoxyphenyl)nipecotic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OCC2=CN3C=CC=CC3=C2C#N)C4=CC=CC=C4OC

Isomeric SMILES

CCCCN1C(C(CCC1=O)C(=O)OCC2=CN3C=CC=CC3=C2C#N)C4=CC=CC=C4OC

InChI

InChI=1S/C27H29N3O4/c1-3-4-15-30-25(31)13-12-21(26(30)20-9-5-6-11-24(20)33-2)27(32)34-18-19-17-29-14-8-7-10-23(29)22(19)16-28/h5-11,14,17,21,26H,3-4,12-13,15,18H2,1-2H3