1-[(2S)-1-[2-(3,4-diethoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[(2S)-1-[2-(3,4-diethoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[(1S)-2-[2-(3,4-diethoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[(2S)-1-[2-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-[2-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[(1S)-2-[2-(3,4-diethoxyphenyl)ethylamino]-2-keto-1-methyl-ethyl]pyrazole-3-carboxylic acid Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C(C)N2C=CC(=N2)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)[C@H](C)N2C=CC(=N2)C(=O)O)OCC

InChI

InChI=1S/C19H25N3O5/c1-4-26-16-7-6-14(12-17(16)27-5-2)8-10-20-18(23)13(3)22-11-9-15(21-22)19(24)25/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,20,23)(H,24,25)/t13-/m0/s1