sodium (E,2S)-2-azanyl-5-[2,4-bis(fluoranyl)phenyl]-5-naphthalen-2-yl-pent-4-enoate

Systemtic Name: sodium (E,2S)-2-azanyl-5-[2,4-bis(fluoranyl)phenyl]-5-naphthalen-2-yl-pent-4-enoate Openeye Name: sodium (E,2S)-2-amino-5-(2,4-difluorophenyl)-5-(2-naphthyl)pent-4-enoate CAS Name: sodium (E,2S)-2-amino-5-(2,4-difluorophenyl)-5-(2-naphthalenyl)-4-pentenoate IUPAC Name: sodium (E,2S)-2-amino-5-(2,4-difluorophenyl)-5-naphthalen-2-ylpent-4-enoate Traditional Name: sodium (E,2S)-2-amino-5-(2,4-difluorophenyl)-5-(2-naphthyl)pent-4-enoate Formula: C21H16F2NNaO2 MolecularWeight: 375.343816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=CCC(C(=O)[O-])N)C3=C(C=C(C=C3)F)F.[Na+]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)/C(=C\C[C@@H](C(=O)[O-])N)/C3=C(C=C(C=C3)F)F.[Na+]

InChI

InChI=1S/C21H17F2NO2.Na/c22-16-7-8-18(19(23)12-16)17(9-10-20(24)21(25)26)15-6-5-13-3-1-2-4-14(13)11-15;/h1-9,11-12,20H,10,24H2,(H,25,26);/q;+1/p-1/b17-9+;/t20-;/m0./s1