sodium 2-[4-[cyclopentyl-(5,6-diphenylpyrazin-2-yl)amino]butoxy]ethanoate

Systemtic Name: sodium 2-[4-[cyclopentyl-(5,6-diphenylpyrazin-2-yl)amino]butoxy]ethanoate Openeye Name: sodium 2-[4-[cyclopentyl-(5,6-diphenylpyrazin-2-yl)amino]butoxy]acetate CAS Name: sodium 2-[4-[cyclopentyl-(5,6-diphenyl-2-pyrazinyl)amino]butoxy]acetate IUPAC Name: sodium 2-[4-[cyclopentyl-(5,6-diphenylpyrazin-2-yl)amino]butoxy]acetate Traditional Name: sodium 2-[4-[cyclopentyl-(5,6-diphenylpyrazin-2-yl)amino]butoxy]acetate Formula: C27H30N3NaO3 MolecularWeight: 467.53517

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CCCCOCC(=O)[O-])C2=CN=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4.[Na+]

Isomeric SMILES

C1CCC(C1)N(CCCCOCC(=O)[O-])C2=CN=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C27H31N3O3.Na/c31-25(32)20-33-18-10-9-17-30(23-15-7-8-16-23)24-19-28-26(21-11-3-1-4-12-21)27(29-24)22-13-5-2-6-14-22;/h1-6,11-14,19,23H,7-10,15-18,20H2,(H,31,32);/q;+1/p-1