2-[3-[(4-tert-butylcyclohexyl)amino]-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(4-tert-butylcyclohexyl)amino]-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(4-tert-butylcyclohexyl)amino]-5-chloro-2-oxo-6-phenyl-pyrazin-1-yl]acetic acid CAS Name: 2-[3-[(4-tert-butylcyclohexyl)amino]-5-chloro-2-oxo-6-phenyl-1-pyrazinyl]acetic acid IUPAC Name: 2-[3-[(4-tert-butylcyclohexyl)amino]-5-chloro-2-oxo-6-phenylpyrazin-1-yl]acetic acid Traditional Name: 2-[3-[(4-tert-butylcyclohexyl)amino]-5-chloro-2-keto-6-phenyl-pyrazin-1-yl]acetic acid Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)NC2=NC(=C(N(C2=O)CC(=O)O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)NC2=NC(=C(N(C2=O)CC(=O)O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H28ClN3O3/c1-22(2,3)15-9-11-16(12-10-15)24-20-21(29)26(13-17(27)28)18(19(23)25-20)14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3,(H,24,25)(H,27,28)