[2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]amino]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-2-[[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]amino]ethyl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=N2

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=N2

InChI

InChI=1S/C18H22N4O4/c1-3-9-19-17(24)13(2)21-16(23)12-26-18(25)14-5-7-15(8-6-14)22-11-4-10-20-22/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,19,24)(H,21,23)/t13-/m0/s1