ethyl 1-[2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]amino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]nipecotic acid ethyl ester Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C#N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C#N

InChI

InChI=1S/C24H30N4O3/c1-4-31-24(30)20-11-8-12-27(15-20)16-22(29)26-23-21(13-25)17(2)18(3)28(23)14-19-9-6-5-7-10-19/h5-7,9-10,20H,4,8,11-12,14-16H2,1-3H3,(H,26,29)