4-oxidanylidene-8-[(phenylmethyl)-propan-2-yl-carbamoyl]-3H-1,10-phenanthroline-3-carboxylic acid

Systemtic Name: 4-oxidanylidene-8-[(phenylmethyl)-propan-2-yl-carbamoyl]-3H-1,10-phenanthroline-3-carboxylic acid Openeye Name: 8-[benzyl(isopropyl)carbamoyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid CAS Name: 4-oxo-8-[oxo-[(phenylmethyl)-propan-2-ylamino]methyl]-3H-1,10-phenanthroline-3-carboxylic acid IUPAC Name: 8-[benzyl(propan-2-yl)carbamoyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid Traditional Name: 8-[benzyl(isopropyl)carbamoyl]-4-keto-3H-1,10-phenanthroline-3-carboxylic acid Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)C2=CN=C3C(=C2)C=CC4=C3N=CC(C4=O)C(=O)O

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)C2=CN=C3C(=C2)C=CC4=C3N=CC(C4=O)C(=O)O

InChI

InChI=1S/C24H21N3O4/c1-14(2)27(13-15-6-4-3-5-7-15)23(29)17-10-16-8-9-18-21(20(16)25-11-17)26-12-19(22(18)28)24(30)31/h3-12,14,19H,13H2,1-2H3,(H,30,31)