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

Systemtic Name: 1-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 1-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 1-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 1-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)CCN2C=CC(=N2)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)CCN2C=CC(=N2)C(=O)O)OCC

InChI

InChI=1S/C19H25N3O5/c1-3-26-16-6-5-14(13-17(16)27-4-2)7-10-20-18(23)9-12-22-11-8-15(21-22)19(24)25/h5-6,8,11,13H,3-4,7,9-10,12H2,1-2H3,(H,20,23)(H,24,25)