[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-ethylindole-3-carboxylate

Systemtic Name: [(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-ethylindole-3-carboxylate Openeye Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 1-ethylindole-3-carboxylate CAS Name: 1-ethyl-3-indolecarboxylic acid [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-ethylindole-3-carboxylate Traditional Name: 1-ethylindole-3-carboxylic acid [(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(=O)O[C@@H](C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C22H22N2O3/c1-2-24-14-18(17-10-6-7-11-19(17)24)22(26)27-20(15-8-4-3-5-9-15)21(25)23-16-12-13-16/h3-11,14,16,20H,2,12-13H2,1H3,(H,23,25)/t20-/m0/s1