(Z)-2-[1-phenyl-2-[1-(propan-2-ylamino)ethyl]pyrazin-2-yl]but-2-enedioic acid

Systemtic Name: (Z)-2-[1-phenyl-2-[1-(propan-2-ylamino)ethyl]pyrazin-2-yl]but-2-enedioic acid Openeye Name: (Z)-2-[2-[1-(isopropylamino)ethyl]-1-phenyl-pyrazin-2-yl]but-2-enedioic acid CAS Name: (Z)-2-[1-phenyl-2-[1-(propan-2-ylamino)ethyl]-2-pyrazinyl]-2-butenedioic acid IUPAC Name: (Z)-2-[1-phenyl-2-[1-(propan-2-ylamino)ethyl]pyrazin-2-yl]but-2-enedioic acid Traditional Name: (Z)-2-[2-[1-(isopropylamino)ethyl]-1-phenyl-pyrazin-2-yl]but-2-enedioic acid Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(C)C1(C=NC=CN1C2=CC=CC=C2)C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NC(C)C1(C=NC=CN1C2=CC=CC=C2)/C(=C/C(=O)O)/C(=O)O

InChI

InChI=1S/C19H23N3O4/c1-13(2)21-14(3)19(16(18(25)26)11-17(23)24)12-20-9-10-22(19)15-7-5-4-6-8-15/h4-14,21H,1-3H3,(H,23,24)(H,25,26)/b16-11+