1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-(homoveratrylamino)-3-keto-propyl]pyrazole-4-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=C(C=N2)C(=O)O)OC

Isomeric SMILES

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

InChI

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