sodium (E)-2-azanyl-5-(4-propan-2-ylphenyl)-5-pyridin-3-yl-pent-4-enoate

Systemtic Name: sodium (E)-2-azanyl-5-(4-propan-2-ylphenyl)-5-pyridin-3-yl-pent-4-enoate Openeye Name: sodium (E)-2-amino-5-(4-isopropylphenyl)-5-(3-pyridyl)pent-4-enoate CAS Name: sodium (E)-2-amino-5-(4-propan-2-ylphenyl)-5-(3-pyridinyl)-4-pentenoate IUPAC Name: sodium (E)-2-amino-5-(4-propan-2-ylphenyl)-5-pyridin-3-ylpent-4-enoate Traditional Name: sodium (E)-2-amino-5-p-cumenyl-5-(3-pyridyl)pent-4-enoate Formula: C19H21N2NaO2 MolecularWeight: 332.37201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=CCC(C(=O)[O-])N)C2=CN=CC=C2.[Na+]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C(=C\CC(C(=O)[O-])N)/C2=CN=CC=C2.[Na+]

InChI

InChI=1S/C19H22N2O2.Na/c1-13(2)14-5-7-15(8-6-14)17(9-10-18(20)19(22)23)16-4-3-11-21-12-16;/h3-9,11-13,18H,10,20H2,1-2H3,(H,22,23);/q;+1/p-1/b17-9+;