ethyl 4-[4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]piperidin-1-yl]carbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]piperidin-1-yl]carbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[4-[2-oxo-2-(sec-butylamino)ethyl]piperidine-1-carbonyl]-1H-pyrrole-2-carboxylate CAS Name: 4-[[4-[2-(butan-2-ylamino)-2-oxoethyl]-1-piperidinyl]-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-[2-keto-2-(sec-butylamino)ethyl]piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CC1CCN(CC1)C(=O)C2=C(NC(=C2C)C(=O)OCC)C

Isomeric SMILES

CCC(C)NC(=O)CC1CCN(CC1)C(=O)C2=C(NC(=C2C)C(=O)OCC)C

InChI

InChI=1S/C21H33N3O4/c1-6-13(3)22-17(25)12-16-8-10-24(11-9-16)20(26)18-14(4)19(23-15(18)5)21(27)28-7-2/h13,16,23H,6-12H2,1-5H3,(H,22,25)