1-[3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-oxidanylidene-propyl]pyrazole-4-carboxylate

Systemtic Name: 1-[3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-oxidanylidene-propyl]pyrazole-4-carboxylate Openeye Name: 1-[3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-oxo-propyl]pyrazole-4-carboxylate CAS Name: 1-[3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-4-pyrazolecarboxylate IUPAC Name: 1-[3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]pyrazole-4-carboxylate Traditional Name: 1-[3-keto-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]pyrazole-4-carboxylate Formula: C16H18N3O4- MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)NC(=O)CCN2C=C(C=N2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)OC)NC(=O)CCN2C=C(C=N2)C(=O)[O-]

InChI

InChI=1S/C16H19N3O4/c1-11(12-3-5-14(23-2)6-4-12)18-15(20)7-8-19-10-13(9-17-19)16(21)22/h3-6,9-11H,7-8H2,1-2H3,(H,18,20)(H,21,22)/p-1/t11-/m0/s1