sodium (Z)-2-azanyl-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate

Systemtic Name: sodium (Z)-2-azanyl-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate Openeye Name: sodium (Z)-2-amino-5-(2-fluorophenyl)-5-(4-isopropylphenyl)pent-4-enoate CAS Name: sodium (Z)-2-amino-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)-4-pentenoate IUPAC Name: sodium (Z)-2-amino-5-(2-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate Traditional Name: sodium (Z)-2-amino-5-(2-fluorophenyl)-5-p-cumenyl-pent-4-enoate Formula: C20H21FNNaO2 MolecularWeight: 349.374413

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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=CC=C2F.[Na+]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C(=C/CC(C(=O)[O-])N)/C2=CC=CC=C2F.[Na+]

InChI

InChI=1S/C20H22FNO2.Na/c1-13(2)14-7-9-15(10-8-14)16(11-12-19(22)20(23)24)17-5-3-4-6-18(17)21;/h3-11,13,19H,12,22H2,1-2H3,(H,23,24);/q;+1/p-1/b16-11-;