[2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[4-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-keto-2-[4-[(1S)-1-methylpropyl]anilino]ethyl] ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=NC=C2

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=NC=C2

InChI

InChI=1S/C18H20N2O3/c1-3-13(2)14-4-6-16(7-5-14)20-17(21)12-23-18(22)15-8-10-19-11-9-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1