[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-cyclopropylquinoline-4-carboxylate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-cyclopropylquinoline-4-carboxylate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

InChI

InChI=1S/C22H26N2O3/c25-21(24-12-6-2-1-3-7-13-24)15-27-22(26)18-14-20(16-10-11-16)23-19-9-5-4-8-17(18)19/h4-5,8-9,14,16H,1-3,6-7,10-13,15H2