2-[3-[1-(2,5-dimethoxyphenyl)ethylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[1-(2,5-dimethoxyphenyl)ethylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[1-(2,5-dimethoxyphenyl)ethylamino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[1-(2,5-dimethoxyphenyl)ethylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[1-(2,5-dimethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[1-(2,5-dimethoxyphenyl)ethylamino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)CCN2C(=CC=N2)C(=O)O

InChI

InChI=1S/C17H21N3O5/c1-11(13-10-12(24-2)4-5-15(13)25-3)19-16(21)7-9-20-14(17(22)23)6-8-18-20/h4-6,8,10-11H,7,9H2,1-3H3,(H,19,21)(H,22,23)