4-[(5,5-dimethyl-8-pyrimidin-5-yl-6H-naphthalen-2-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(5,5-dimethyl-8-pyrimidin-5-yl-6H-naphthalen-2-yl)carbonylamino]benzoic acid Openeye Name: 4-[(5,5-dimethyl-8-pyrimidin-5-yl-6H-naphthalene-2-carbonyl)amino]benzoic acid CAS Name: 4-[[[5,5-dimethyl-8-(5-pyrimidinyl)-6H-naphthalen-2-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(5,5-dimethyl-8-pyrimidin-5-yl-6H-naphthalene-2-carbonyl)amino]benzoic acid Traditional Name: 4-[[5,5-dimethyl-8-(5-pyrimidyl)-6H-naphthalene-2-carbonyl]amino]benzoic acid Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C4=CN=CN=C4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C4=CN=CN=C4)C

InChI

InChI=1S/C24H21N3O3/c1-24(2)10-9-19(17-12-25-14-26-13-17)20-11-16(5-8-21(20)24)22(28)27-18-6-3-15(4-7-18)23(29)30/h3-9,11-14H,10H2,1-2H3,(H,27,28)(H,29,30)