2-[3-(3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-(3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-(3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-(3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-(3-carbomethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2CN1C(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C18H19N3O5/c1-26-18(25)15-10-12-4-2-3-5-13(12)11-20(15)16(22)7-9-21-14(17(23)24)6-8-19-21/h2-6,8,15H,7,9-11H2,1H3,(H,23,24)