[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridinecarboxylic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrrolidinonicotinic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(N=CC=C2)N3CCCC3

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(N=CC=C2)N3CCCC3

InChI

InChI=1S/C23H29N3O3/c1-23(2,3)26(16-18-10-5-4-6-11-18)20(27)17-29-22(28)19-12-9-13-24-21(19)25-14-7-8-15-25/h4-6,9-13H,7-8,14-17H2,1-3H3