8-[butyl(ethyl)carbamoyl]-4-oxidanylidene-4aH-1,10-phenanthroline-3-carboxylic acid

Systemtic Name: 8-[butyl(ethyl)carbamoyl]-4-oxidanylidene-4aH-1,10-phenanthroline-3-carboxylic acid Openeye Name: 8-[butyl(ethyl)carbamoyl]-4-oxo-4aH-1,10-phenanthroline-3-carboxylic acid CAS Name: 8-[[butyl(ethyl)amino]-oxomethyl]-4-oxo-4aH-1,10-phenanthroline-3-carboxylic acid IUPAC Name: 8-[butyl(ethyl)carbamoyl]-4-oxo-4aH-1,10-phenanthroline-3-carboxylic acid Traditional Name: 8-[butyl(ethyl)carbamoyl]-4-keto-4aH-1,10-phenanthroline-3-carboxylic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C(=O)C1=CN=C2C(=C1)C=CC3C2=NC=C(C3=O)C(=O)O

Isomeric SMILES

CCCCN(CC)C(=O)C1=CN=C2C(=C1)C=CC3C2=NC=C(C3=O)C(=O)O

InChI

InChI=1S/C20H21N3O4/c1-3-5-8-23(4-2)19(25)13-9-12-6-7-14-17(16(12)21-10-13)22-11-15(18(14)24)20(26)27/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,26,27)