[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-4-quinolinecarboxylic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H24N2O3/c1-3-17(2)27-25(29)16-31-26(30)22-15-24(28-23-14-7-6-12-21(22)23)20-13-8-10-18-9-4-5-11-19(18)20/h4-15,17H,3,16H2,1-2H3,(H,27,29)/t17-/m0/s1