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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)OC)N3C=CC(=N3)C(=O)O

Isomeric SMILES

CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)OC)N3C=CC(=N3)C(=O)O

InChI

InChI=1S/C18H19N3O5/c1-11(21-8-7-14(19-21)17(23)24)16(22)20-10-13-6-4-3-5-12(13)9-15(20)18(25)26-2/h3-8,11,15H,9-10H2,1-2H3,(H,23,24)