2-(2,3-dihydro-1-benzofuran-6-yl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxidanylidene-pyrrolidin-1-yl]propanoic acid

Systemtic Name: 2-(2,3-dihydro-1-benzofuran-6-yl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxidanylidene-pyrrolidin-1-yl]propanoic acid Openeye Name: 2-(2,3-dihydrobenzofuran-6-yl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxo-pyrrolidin-1-yl]propanoic acid CAS Name: 2-(2,3-dihydrobenzofuran-6-yl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxo-1-pyrrolidinyl]propanoic acid IUPAC Name: 2-(2,3-dihydro-1-benzofuran-6-yl)-3-[(3S)-3-[3-(1,8-naphthyridin-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoic acid Traditional Name: 2-coumaran-6-yl-3-[(3S)-2-keto-3-[3-(1,8-naphthyridin-2-yl)propyl]pyrrolidino]propionic acid Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1CCCC2=NC3=C(C=CC=N3)C=C2)CC(C4=CC5=C(CCO5)C=C4)C(=O)O

Isomeric SMILES

C1CN(C(=O)[C@H]1CCCC2=NC3=C(C=CC=N3)C=C2)CC(C4=CC5=C(CCO5)C=C4)C(=O)O

InChI

InChI=1S/C26H27N3O4/c30-25-19(3-1-5-21-9-8-18-4-2-12-27-24(18)28-21)10-13-29(25)16-22(26(31)32)20-7-6-17-11-14-33-23(17)15-20/h2,4,6-9,12,15,19,22H,1,3,5,10-11,13-14,16H2,(H,31,32)/t19-,22?/m0/s1