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

Systemtic Name: 2-[3-[1-(4-methoxyphenyl)ethylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[1-(4-methoxyphenyl)ethylamino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[1-(4-methoxyphenyl)ethylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[1-(4-methoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[1-(4-methoxyphenyl)ethylamino]propyl]pyrazole-3-carboxylic acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-11(12-3-5-13(23-2)6-4-12)18-15(20)8-10-19-14(16(21)22)7-9-17-19/h3-7,9,11H,8,10H2,1-2H3,(H,18,20)(H,21,22)