(E)-5-(4-phenylphenyl)-4-(2-phosphonopropan-2-ylamino)pent-2-enoic acid

Systemtic Name: (E)-5-(4-phenylphenyl)-4-(2-phosphonopropan-2-ylamino)pent-2-enoic acid Openeye Name: (E)-4-[(1-methyl-1-phosphono-ethyl)amino]-5-(4-phenylphenyl)pent-2-enoic acid CAS Name: (E)-5-(4-phenylphenyl)-4-(2-phosphonopropan-2-ylamino)-2-pentenoic acid IUPAC Name: (E)-5-(4-phenylphenyl)-4-(2-phosphonopropan-2-ylamino)pent-2-enoic acid Traditional Name: (E)-4-[(1-methyl-1-phosphono-ethyl)amino]-5-(4-phenylphenyl)pent-2-enoic acid Formula: C20H24NO5P MolecularWeight: 389.382021

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(NC(CC1=CC=C(C=C1)C2=CC=CC=C2)C=CC(=O)O)P(=O)(O)O

Isomeric SMILES

CC(C)(NC(CC1=CC=C(C=C1)C2=CC=CC=C2)/C=C/C(=O)O)P(=O)(O)O

InChI

InChI=1S/C20H24NO5P/c1-20(2,27(24,25)26)21-18(12-13-19(22)23)14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-13,18,21H,14H2,1-2H3,(H,22,23)(H2,24,25,26)/b13-12+