2-azanyl-4-[2-(4-tert-butylphenyl)phenyl]carbonyl-quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-4-[2-(4-tert-butylphenyl)phenyl]carbonyl-quinoline-3-carboxylic acid Openeye Name: 2-amino-4-[2-(4-tert-butylphenyl)benzoyl]quinoline-3-carboxylic acid CAS Name: 2-amino-4-[[2-(4-tert-butylphenyl)phenyl]-oxomethyl]-3-quinolinecarboxylic acid IUPAC Name: 2-amino-4-[2-(4-tert-butylphenyl)benzoyl]quinoline-3-carboxylic acid Traditional Name: 2-amino-4-[2-(4-tert-butylphenyl)benzoyl]quinoline-3-carboxylic acid Formula: C27H24N2O3 MolecularWeight: 424.49106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C3=C(C(=NC4=CC=CC=C43)N)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C3=C(C(=NC4=CC=CC=C43)N)C(=O)O

InChI

InChI=1S/C27H24N2O3/c1-27(2,3)17-14-12-16(13-15-17)18-8-4-5-9-19(18)24(30)22-20-10-6-7-11-21(20)29-25(28)23(22)26(31)32/h4-15H,1-3H3,(H2,28,29)(H,31,32)