[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-4-quinolinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C28H26N2O3 MolecularWeight: 438.51764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H26N2O3/c31-27(30-16-7-1-2-8-17-30)19-33-28(32)24-18-26(29-25-15-6-5-13-23(24)25)22-14-9-11-20-10-3-4-12-21(20)22/h3-6,9-15,18H,1-2,7-8,16-17,19H2