(4,7,7-trimethyl-3-oxidanylidene-5-bicyclo[2.2.1]heptanyl) (3S)-3-benzamido-2-oxidanyl-3-phenyl-propanoate

Systemtic Name: (4,7,7-trimethyl-3-oxidanylidene-5-bicyclo[2.2.1]heptanyl) (3S)-3-benzamido-2-oxidanyl-3-phenyl-propanoate Openeye Name: (1,7,7-trimethyl-6-oxo-norbornan-2-yl) (3S)-3-benzamido-2-hydroxy-3-phenyl-propanoate CAS Name: (3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid (4,7,7-trimethyl-3-oxo-5-bicyclo[2.2.1]heptanyl) ester IUPAC Name: (4,7,7-trimethyl-3-oxo-5-bicyclo[2.2.1]heptanyl) (3S)-3-benzamido-2-hydroxy-3-phenylpropanoate Traditional Name: (3S)-3-benzamido-2-hydroxy-3-phenyl-propionic acid (6-keto-1,7,7-trimethyl-norbornan-2-yl) ester Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC(C1(C(=O)C2)C)OC(=O)C(C(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)O)C

Isomeric SMILES

CC1(C2CC(C1(C(=O)C2)C)OC(=O)C([C@H](C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)O)C

InChI

InChI=1S/C26H29NO5/c1-25(2)18-14-19(28)26(25,3)20(15-18)32-24(31)22(29)21(16-10-6-4-7-11-16)27-23(30)17-12-8-5-9-13-17/h4-13,18,20-22,29H,14-15H2,1-3H3,(H,27,30)/t18?,20?,21-,22?,26?/m0/s1