[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-pyrrol-1-ylbenzoate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-pyrrol-1-ylbenzoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)N3C=CC=C3

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)N3C=CC=C3

InChI

InChI=1S/C22H22N2O3/c1-17(21(25)23-13-12-18-8-3-2-4-9-18)27-22(26)19-10-7-11-20(16-19)24-14-5-6-15-24/h2-11,14-17H,12-13H2,1H3,(H,23,25)