[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 4-pyrrol-1-ylbenzoate Openeye Name: [(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C23H22N2O3/c1-17(22(26)25-16-6-8-18-7-2-3-9-21(18)25)28-23(27)19-10-12-20(13-11-19)24-14-4-5-15-24/h2-5,7,9-15,17H,6,8,16H2,1H3/t17-/m0/s1