2-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(2-allyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[(1,3-dioxo-2-prop-2-enyl-5-isoindolyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(1,3-dioxo-2-prop-2-enylisoindole-5-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(2-allyl-1,3-diketo-isoindoline-5-carbonyl)amino]-3-phenyl-propionic acid Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H18N2O5/c1-2-10-23-19(25)15-9-8-14(12-16(15)20(23)26)18(24)22-17(21(27)28)11-13-6-4-3-5-7-13/h2-9,12,17H,1,10-11H2,(H,22,24)(H,27,28)