3-[[6-[3-[(4-tert-butylphenyl)carbonylamino]-2-methyl-phenyl]-4-methyl-3-oxidanylidene-pyrazin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[6-[3-[(4-tert-butylphenyl)carbonylamino]-2-methyl-phenyl]-4-methyl-3-oxidanylidene-pyrazin-2-yl]amino]benzoic acid Openeye Name: 3-[[6-[3-[(4-tert-butylbenzoyl)amino]-2-methyl-phenyl]-4-methyl-3-oxo-pyrazin-2-yl]amino]benzoic acid CAS Name: 3-[[6-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-methylphenyl]-4-methyl-3-oxo-2-pyrazinyl]amino]benzoic acid IUPAC Name: 3-[[6-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]benzoic acid Traditional Name: 3-[[6-[3-[(4-tert-butylbenzoyl)amino]-2-methyl-phenyl]-3-keto-4-methyl-pyrazin-2-yl]amino]benzoic acid Formula: C30H30N4O4 MolecularWeight: 510.5836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CN(C(=O)C(=N3)NC4=CC=CC(=C4)C(=O)O)C

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CN(C(=O)C(=N3)NC4=CC=CC(=C4)C(=O)O)C

InChI

InChI=1S/C30H30N4O4/c1-18-23(10-7-11-24(18)33-27(35)19-12-14-21(15-13-19)30(2,3)4)25-17-34(5)28(36)26(32-25)31-22-9-6-8-20(16-22)29(37)38/h6-17H,1-5H3,(H,31,32)(H,33,35)(H,37,38)