[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-4-quinolinecarboxylic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C29H27ClN2O3 MolecularWeight: 486.98928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

InChI

InChI=1S/C29H27ClN2O3/c1-29(2,3)32(18-20-11-5-4-6-12-20)27(33)19-35-28(34)23-17-26(22-14-7-9-15-24(22)30)31-25-16-10-8-13-21(23)25/h4-17H,18-19H2,1-3H3