O4-tert-butyl O1-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-benzamido-2-methyl-butanedioate

Systemtic Name: O4-tert-butyl O1-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-benzamido-2-methyl-butanedioate Openeye Name: O4-tert-butyl O1-[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2S)-2-benzamido-2-methyl-butanedioate CAS Name: (2S)-2-benzamido-2-methylbutanedioic acid O4-tert-butyl ester O1-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: 4-O-tert-butyl 1-O-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-benzamido-2-methylbutanedioate Traditional Name: (2S)-2-benzamido-2-methyl-succinic acid O4-tert-butyl ester O1-[(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C32H43NO5 MolecularWeight: 521.68752

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C)(CC(=O)OC(C)(C)C)NC(=O)C2=CC=CC=C2)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@](C)(CC(=O)OC(C)(C)C)NC(=O)C2=CC=CC=C2)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C32H43NO5/c1-22-18-19-25(31(5,6)24-16-12-9-13-17-24)26(20-22)37-29(36)32(7,21-27(34)38-30(2,3)4)33-28(35)23-14-10-8-11-15-23/h8-17,22,25-26H,18-21H2,1-7H3,(H,33,35)/t22-,25-,26-,32+/m1/s1