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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](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)17-15(20)7-9-19-8-6-14(18-19)16(21)22/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,20)(H,21,22)/p-1/t11-/m0/s1