3-[1-[[3-(acetyloxymethoxy)-3-oxidanylidene-propanoyl]-piperidin-4-yloxy-amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[1-[[3-(acetyloxymethoxy)-3-oxidanylidene-propanoyl]-piperidin-4-yloxy-amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[1-[[3-(acetoxymethoxy)-3-oxo-propanoyl]-(4-piperidyloxy)amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[1-[[3-(acetyloxymethoxy)-1,3-dioxopropyl]-(4-piperidinyloxy)amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[1-[[3-(acetyloxymethoxy)-3-oxopropanoyl]-piperidin-4-yloxyamino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 3-[1-[[3-(acetoxymethoxy)-3-keto-propanoyl]-(4-piperidyloxy)amino]-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid Formula: C23H31N3O8 MolecularWeight: 477.50754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCOC(=O)CC(=O)N(C1C2=CC=CC=C2CCN1CCC(=O)O)OC3CCNCC3

Isomeric SMILES

CC(=O)OCOC(=O)CC(=O)N(C1C2=CC=CC=C2CCN1CCC(=O)O)OC3CCNCC3

InChI

InChI=1S/C23H31N3O8/c1-16(27)32-15-33-22(31)14-20(28)26(34-18-6-10-24-11-7-18)23-19-5-3-2-4-17(19)8-12-25(23)13-9-21(29)30/h2-5,18,23-24H,6-15H2,1H3,(H,29,30)