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

Systemtic Name: (1R,2S,3S,4S)-3-benzamido-2-(3,4-dimethoxyphenyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: (1R,2S,3S,4S)-3-benzamido-2-(3,4-dimethoxyphenyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: (1R,2S,3S,4S)-3-benzamido-2-(3,4-dimethoxyphenyl)-3-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: (1R,2S,3S,4S)-3-benzamido-2-(3,4-dimethoxyphenyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: (1R,2S,3S,4S)-3-benzamido-2-(3,4-dimethoxyphenyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C23H23NO5 MolecularWeight: 393.43242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3CC(C2(C(=O)O)NC(=O)C4=CC=CC=C4)C=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2[C@@H]3C[C@H]([C@]2(C(=O)O)NC(=O)C4=CC=CC=C4)C=C3)OC

InChI

InChI=1S/C23H23NO5/c1-28-18-11-9-16(13-19(18)29-2)20-15-8-10-17(12-15)23(20,22(26)27)24-21(25)14-6-4-3-5-7-14/h3-11,13,15,17,20H,12H2,1-2H3,(H,24,25)(H,26,27)/t15-,17+,20-,23-/m0/s1