[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)C2=CC=CN2

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C)NC(=O)COC(=O)C2=CC=CN2

InChI

InChI=1S/C17H20N2O3/c1-3-13-6-8-14(9-7-13)12(2)19-16(20)11-22-17(21)15-5-4-10-18-15/h4-10,12,18H,3,11H2,1-2H3,(H,19,20)/t12-/m0/s1