2-(2,3-dihydro-1-benzofuran-6-yl)-3-[(3S)-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2-oxidanylidene-pyrrolidin-1-yl]propanoic acid

Systemtic Name: 2-(2,3-dihydro-1-benzofuran-6-yl)-3-[(3S)-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2-oxidanylidene-pyrrolidin-1-yl]propanoic acid Openeye Name: 2-(2,3-dihydrobenzofuran-6-yl)-3-[(3S)-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2-oxo-pyrrolidin-1-yl]propanoic acid CAS Name: 2-(2,3-dihydrobenzofuran-6-yl)-3-[(3S)-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2-oxo-1-pyrrolidinyl]propanoic acid IUPAC Name: 2-(2,3-dihydro-1-benzofuran-6-yl)-3-[(3S)-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoic acid Traditional Name: 2-coumaran-6-yl-3-[(3S)-2-keto-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidino]propionic acid Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCCO1)CCCC2CCN(C2=O)CC(C3=CC4=C(CCO4)C=C3)C(=O)O

Isomeric SMILES

CC1(OCCO1)CCC[C@H]2CCN(C2=O)CC(C3=CC4=C(CCO4)C=C3)C(=O)O

InChI

InChI=1S/C22H29NO6/c1-22(28-11-12-29-22)8-2-3-16-6-9-23(20(16)24)14-18(21(25)26)17-5-4-15-7-10-27-19(15)13-17/h4-5,13,16,18H,2-3,6-12,14H2,1H3,(H,25,26)/t16-,18?/m0/s1