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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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