2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-(homoveratrylamino)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=CC=N2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=CC=N2)C(=O)O)OC

InChI

InChI=1S/C17H21N3O5/c1-24-14-4-3-12(11-15(14)25-2)5-8-18-16(21)7-10-20-13(17(22)23)6-9-19-20/h3-4,6,9,11H,5,7-8,10H2,1-2H3,(H,18,21)(H,22,23)