4,7-bis(2-methylpropoxy)-9-(phenylcarbamoyl)-1,10-phenanthroline-2-carboxylic acid

Systemtic Name: 4,7-bis(2-methylpropoxy)-9-(phenylcarbamoyl)-1,10-phenanthroline-2-carboxylic acid Openeye Name: 4,7-diisobutoxy-9-(phenylcarbamoyl)-1,10-phenanthroline-2-carboxylic acid CAS Name: 9-[anilino(oxo)methyl]-4,7-bis(2-methylpropoxy)-1,10-phenanthroline-2-carboxylic acid IUPAC Name: 4,7-bis(2-methylpropoxy)-9-(phenylcarbamoyl)-1,10-phenanthroline-2-carboxylic acid Traditional Name: 4,7-diisobutoxy-9-(phenylcarbamoyl)-1,10-phenanthroline-2-carboxylic acid Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC(=NC2=C1C=CC3=C2N=C(C=C3OCC(C)C)C(=O)O)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC(C)COC1=CC(=NC2=C1C=CC3=C2N=C(C=C3OCC(C)C)C(=O)O)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O5/c1-16(2)14-35-23-12-21(27(32)29-18-8-6-5-7-9-18)30-25-19(23)10-11-20-24(36-15-17(3)4)13-22(28(33)34)31-26(20)25/h5-13,16-17H,14-15H2,1-4H3,(H,29,32)(H,33,34)