2-[[1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-propan-2-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-propan-2-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-2-oxo-ethyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[1-(1,3-benzodioxol-5-yl)-3-oxopropan-2-yl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(1,3-benzodioxol-5-yl)-3-oxopropan-2-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-1-formyl-ethyl]amino]-3-phenyl-propionic acid Formula: C19H19NO5 MolecularWeight: 341.35786

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(C=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC(C=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H19NO5/c21-11-15(8-14-6-7-17-18(10-14)25-12-24-17)20-16(19(22)23)9-13-4-2-1-3-5-13/h1-7,10-11,15-16,20H,8-9,12H2,(H,22,23)