nonan-5-yl 1,10-phenanthroline-5-carboxylate

Systemtic Name: nonan-5-yl 1,10-phenanthroline-5-carboxylate Openeye Name: 1-butylpentyl 1,10-phenanthroline-5-carboxylate CAS Name: 1,10-phenanthroline-5-carboxylic acid nonan-5-yl ester IUPAC Name: nonan-5-yl 1,10-phenanthroline-5-carboxylate Traditional Name: 1,10-phenanthroline-5-carboxylic acid 1-butylpentyl ester Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)OC(=O)C1=C2C=CC=NC2=C3C(=C1)C=CC=N3

Isomeric SMILES

CCCCC(CCCC)OC(=O)C1=C2C=CC=NC2=C3C(=C1)C=CC=N3

InChI

InChI=1S/C22H26N2O2/c1-3-5-10-17(11-6-4-2)26-22(25)19-15-16-9-7-13-23-20(16)21-18(19)12-8-14-24-21/h7-9,12-15,17H,3-6,10-11H2,1-2H3