4-azanyl-2-(4-tert-butylphenyl)-5-pyridin-3-ylcarbonyl-quinoline-3-carboxylic acid

Systemtic Name: 4-azanyl-2-(4-tert-butylphenyl)-5-pyridin-3-ylcarbonyl-quinoline-3-carboxylic acid Openeye Name: 4-amino-2-(4-tert-butylphenyl)-5-(pyridine-3-carbonyl)quinoline-3-carboxylic acid CAS Name: 4-amino-2-(4-tert-butylphenyl)-5-[oxo(3-pyridinyl)methyl]-3-quinolinecarboxylic acid IUPAC Name: 4-amino-2-(4-tert-butylphenyl)-5-(pyridine-3-carbonyl)quinoline-3-carboxylic acid Traditional Name: 4-amino-2-(4-tert-butylphenyl)-5-nicotinoyl-quinoline-3-carboxylic acid Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC(=C3C(=C2C(=O)O)N)C(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC(=C3C(=C2C(=O)O)N)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C26H23N3O3/c1-26(2,3)17-11-9-15(10-12-17)23-21(25(31)32)22(27)20-18(7-4-8-19(20)29-23)24(30)16-6-5-13-28-14-16/h4-14H,1-3H3,(H2,27,29)(H,31,32)