3-[[4-(diethoxyphosphorylmethyl)phenyl]amino]-3-oxidanylidene-2-(phenylmethyl)propanoic acid

Systemtic Name: 3-[[4-(diethoxyphosphorylmethyl)phenyl]amino]-3-oxidanylidene-2-(phenylmethyl)propanoic acid Openeye Name: 2-benzyl-3-[4-(diethoxyphosphorylmethyl)anilino]-3-oxo-propanoic acid CAS Name: 3-[4-(diethoxyphosphorylmethyl)anilino]-3-oxo-2-(phenylmethyl)propanoic acid IUPAC Name: 2-benzyl-3-[4-(diethoxyphosphorylmethyl)anilino]-3-oxopropanoic acid Traditional Name: 2-benzyl-3-[4-(diethoxyphosphorylmethyl)anilino]-3-keto-propionic acid Formula: C21H26NO6P MolecularWeight: 419.408001

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)C(=O)O)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)C(=O)O)OCC

InChI

InChI=1S/C21H26NO6P/c1-3-27-29(26,28-4-2)15-17-10-12-18(13-11-17)22-20(23)19(21(24)25)14-16-8-6-5-7-9-16/h5-13,19H,3-4,14-15H2,1-2H3,(H,22,23)(H,24,25)