4-[6-azanyl-3-(4-azanylnaphthalen-1-yl)-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid

Systemtic Name: 4-[6-azanyl-3-(4-azanylnaphthalen-1-yl)-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid Openeye Name: 4-[6-amino-3-(4-amino-1-naphthyl)-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid CAS Name: 4-[6-amino-3-(4-amino-1-naphthalenyl)-5-(4-carboxyphenyl)-2-pyrazinyl]benzoic acid IUPAC Name: 4-[6-amino-3-(4-aminonaphthalen-1-yl)-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid Traditional Name: 4-[6-amino-3-(4-amino-1-naphthyl)-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid Formula: C28H20N4O4 MolecularWeight: 476.4828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2N)C3=C(N=C(C(=N3)C4=CC=C(C=C4)C(=O)O)N)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2N)C3=C(N=C(C(=N3)C4=CC=C(C=C4)C(=O)O)N)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C28H20N4O4/c29-22-14-13-21(19-3-1-2-4-20(19)22)25-23(15-5-9-17(10-6-15)27(33)34)32-26(30)24(31-25)16-7-11-18(12-8-16)28(35)36/h1-14H,29H2,(H2,30,32)(H,33,34)(H,35,36)