sodium (E)-2-azanyl-5-(4-cyanophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate

Systemtic Name: sodium (E)-2-azanyl-5-(4-cyanophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate Openeye Name: sodium (E)-2-amino-5-(4-cyanophenyl)-5-(4-isopropylphenyl)pent-4-enoate CAS Name: sodium (E)-2-amino-5-(4-cyanophenyl)-5-(4-propan-2-ylphenyl)-4-pentenoate IUPAC Name: sodium (E)-2-amino-5-(4-cyanophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate Traditional Name: sodium (E)-2-amino-5-(4-cyanophenyl)-5-p-cumenyl-pent-4-enoate Formula: C21H21N2NaO2 MolecularWeight: 356.39341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2.Na/c1-14(2)16-7-9-18(10-8-16)19(11-12-20(23)21(24)25)17-5-3-15(13-22)4-6-17;/h3-11,14,20H,12,23H2,1-2H3,(H,24,25);/q;+1/p-1/b19-11-;