(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 3-benzamido-2-oxidanyl-3-phenyl-propanoate

Systemtic Name: (4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 3-benzamido-2-oxidanyl-3-phenyl-propanoate Openeye Name: (2,6,6-trimethylnorpinan-3-yl) 3-benzamido-2-hydroxy-3-phenyl-propanoate CAS Name: 3-benzamido-2-hydroxy-3-phenylpropanoic acid (4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) ester IUPAC Name: (4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 3-benzamido-2-hydroxy-3-phenylpropanoate Traditional Name: 3-benzamido-2-hydroxy-3-phenyl-propionic acid (2,6,6-trimethylnorpinan-3-yl) ester Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC(C2(C)C)CC1OC(=O)C(C(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)O

Isomeric SMILES

CC1C2CC(C2(C)C)CC1OC(=O)C(C(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C26H31NO4/c1-16-20-14-19(26(20,2)3)15-21(16)31-25(30)23(28)22(17-10-6-4-7-11-17)27-24(29)18-12-8-5-9-13-18/h4-13,16,19-23,28H,14-15H2,1-3H3,(H,27,29)