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

Systemtic Name: sodium (E)-2-azanyl-5-(4-tert-butylphenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate Openeye Name: sodium (E)-2-amino-5-(4-tert-butylphenyl)-5-(4-isopropylphenyl)pent-4-enoate CAS Name: sodium (E)-2-amino-5-(4-tert-butylphenyl)-5-(4-propan-2-ylphenyl)-4-pentenoate IUPAC Name: sodium (E)-2-amino-5-(4-tert-butylphenyl)-5-(4-propan-2-ylphenyl)pent-4-enoate Traditional Name: sodium (E)-2-amino-5-(4-tert-butylphenyl)-5-p-cumenyl-pent-4-enoate Formula: C24H30NNaO2 MolecularWeight: 387.49027

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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(C)(C)C.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO2.Na/c1-16(2)17-6-8-18(9-7-17)21(14-15-22(25)23(26)27)19-10-12-20(13-11-19)24(3,4)5;/h6-14,16,22H,15,25H2,1-5H3,(H,26,27);/q;+1/p-1/b21-14+;