(1R,2S,3S,4S)-3-benzamido-2-(1-ethanoylindol-3-yl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: (1R,2S,3S,4S)-3-benzamido-2-(1-ethanoylindol-3-yl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: (1R,2S,3S,4S)-2-(1-acetylindol-3-yl)-3-benzamido-bicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: (1R,2S,3S,4S)-2-(1-acetyl-3-indolyl)-3-benzamido-3-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: (1R,2S,3S,4S)-2-(1-acetylindol-3-yl)-3-benzamidobicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: (1R,2S,3S,4S)-2-(1-acetylindol-3-yl)-3-benzamido-bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)C3C4CC(C3(C(=O)O)NC(=O)C5=CC=CC=C5)C=C4

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)[C@@H]3[C@@H]4C[C@H]([C@]3(C(=O)O)NC(=O)C5=CC=CC=C5)C=C4

InChI

InChI=1S/C25H22N2O4/c1-15(28)27-14-20(19-9-5-6-10-21(19)27)22-17-11-12-18(13-17)25(22,24(30)31)26-23(29)16-7-3-2-4-8-16/h2-12,14,17-18,22H,13H2,1H3,(H,26,29)(H,30,31)/t17-,18+,22-,25-/m0/s1