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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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