(8,8-dimethyl-4-oxidanylidene-6-bicyclo[3.2.1]octanyl) (3S)-3-benzamido-2-oxidanyl-3-phenyl-propanoate

Systemtic Name: (8,8-dimethyl-4-oxidanylidene-6-bicyclo[3.2.1]octanyl) (3S)-3-benzamido-2-oxidanyl-3-phenyl-propanoate Openeye Name: (8,8-dimethyl-4-oxo-6-bicyclo[3.2.1]octanyl) (3S)-3-benzamido-2-hydroxy-3-phenyl-propanoate CAS Name: (3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid (8,8-dimethyl-4-oxo-6-bicyclo[3.2.1]octanyl) ester IUPAC Name: (8,8-dimethyl-4-oxo-6-bicyclo[3.2.1]octanyl) (3S)-3-benzamido-2-hydroxy-3-phenylpropanoate Traditional Name: (3S)-3-benzamido-2-hydroxy-3-phenyl-propionic acid (4-keto-8,8-dimethyl-6-bicyclo[3.2.1]octanyl) ester Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(=O)C1C(C2)OC(=O)C(C(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)O)C

Isomeric SMILES

CC1(C2CCC(=O)C1C(C2)OC(=O)C([C@H](C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)O)C

InChI

InChI=1S/C26H29NO5/c1-26(2)18-13-14-19(28)21(26)20(15-18)32-25(31)23(29)22(16-9-5-3-6-10-16)27-24(30)17-11-7-4-8-12-17/h3-12,18,20-23,29H,13-15H2,1-2H3,(H,27,30)/t18?,20?,21?,22-,23?/m0/s1