(2S)-2-[(4R)-4-(3-cyclopentyloxy-4-methoxy-phenyl)-2-oxidanylidene-3,4-dihydropyrrol-1-ium-1-yl]-2-phenyl-ethanolate

Systemtic Name: (2S)-2-[(4R)-4-(3-cyclopentyloxy-4-methoxy-phenyl)-2-oxidanylidene-3,4-dihydropyrrol-1-ium-1-yl]-2-phenyl-ethanolate Openeye Name: (2S)-2-[(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-oxo-3,4-dihydropyrrol-1-ium-1-yl]-2-phenyl-ethanolate CAS Name: (2S)-2-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3,4-dihydropyrrol-1-ium-1-yl]-2-phenylethanolate IUPAC Name: (2S)-2-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3,4-dihydropyrrol-1-ium-1-yl]-2-phenylethanolate Traditional Name: (2S)-2-[(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-keto-1-pyrrolin-1-ium-1-yl]-2-phenyl-ethanolate Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=O)[N+](=C2)C(C[O-])C3=CC=CC=C3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=O)[N+](=C2)[C@H](C[O-])C3=CC=CC=C3)OC4CCCC4

InChI

InChI=1S/C24H27NO4/c1-28-22-12-11-18(13-23(22)29-20-9-5-6-10-20)19-14-24(27)25(15-19)21(16-26)17-7-3-2-4-8-17/h2-4,7-8,11-13,15,19-21H,5-6,9-10,14,16H2,1H3/t19-,21+/m0/s1