3-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-3-phenyl-propanoic acid Openeye Name: 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-3-phenyl-propanoic acid CAS Name: 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-3-phenylpropanoic acid IUPAC Name: 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-3-phenylpropanoic acid Traditional Name: 3-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)-3-phenyl-propionic acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)C(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)C(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H17NO4/c19-15(20)10-14(11-6-2-1-3-7-11)18-16(21)12-8-4-5-9-13(12)17(18)22/h1-7,12-14H,8-10H2,(H,19,20)