ethyl 1-[3-cyano-1-(2-phenoxyphenyl)pyrrol-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-cyano-1-(2-phenoxyphenyl)pyrrol-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-cyano-1-(2-phenoxyphenyl)pyrrole-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[3-cyano-1-(2-phenoxyphenyl)-2-pyrrolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-cyano-1-(2-phenoxyphenyl)pyrrole-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[3-cyano-1-(2-phenoxyphenyl)pyrrole-2-carbonyl]nipecotic acid ethyl ester Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CN2C3=CC=CC=C3OC4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CN2C3=CC=CC=C3OC4=CC=CC=C4)C#N

InChI

InChI=1S/C26H25N3O4/c1-2-32-26(31)20-9-8-15-28(18-20)25(30)24-19(17-27)14-16-29(24)22-12-6-7-13-23(22)33-21-10-4-3-5-11-21/h3-7,10-14,16,20H,2,8-9,15,18H2,1H3