(2S)-2-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-3-yl)-4-naphthalen-2-yl-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-3-yl)-4-naphthalen-2-yl-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-3-yl)-4-(2-naphthyl)-4-oxo-butanoic acid CAS Name: (2S)-2-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-3-yl)-4-(2-naphthalenyl)-4-oxobutanoic acid IUPAC Name: (2S)-2-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-3-yl)-4-naphthalen-2-yl-4-oxobutanoic acid Traditional Name: (2S)-2-(4-carbethoxy-5-methyl-1H-pyrrol-3-yl)-4-keto-4-(2-naphthyl)butyric acid Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC=C1C(CC(=O)C2=CC3=CC=CC=C3C=C2)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(NC=C1[C@H](CC(=O)C2=CC3=CC=CC=C3C=C2)C(=O)O)C

InChI

InChI=1S/C22H21NO5/c1-3-28-22(27)20-13(2)23-12-18(20)17(21(25)26)11-19(24)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,12,17,23H,3,11H2,1-2H3,(H,25,26)/t17-/m0/s1