disodium (2S)-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]butanedioate

Systemtic Name: disodium (2S)-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]butanedioate Openeye Name: disodium (2S)-2-[[(E)-3-(4-benzyloxyphenyl)prop-2-enoyl]amino]butanedioate CAS Name: disodium (2S)-2-[[(E)-1-oxo-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]butanedioate IUPAC Name: disodium (2S)-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]butanedioate Traditional Name: disodium (2S)-2-[[(E)-3-(4-benzoxyphenyl)acryloyl]amino]succinate Formula: C20H17NNa2O6 MolecularWeight: 413.33162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C=CC(=O)NC(CC(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C/C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H19NO6.2Na/c22-18(21-17(20(25)26)12-19(23)24)11-8-14-6-9-16(10-7-14)27-13-15-4-2-1-3-5-15;;/h1-11,17H,12-13H2,(H,21,22)(H,23,24)(H,25,26);;/q;2*+1/p-2/b11-8+;;/t17-;;/m0../s1