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

Systemtic Name: O4-ethyl O1-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-benzamido-2-methyl-butanedioate Openeye Name: O4-ethyl 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-ethyl ester O1-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: 4-O-ethyl 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 O1-[(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester O4-ethyl ester Formula: C30H39NO5 MolecularWeight: 493.63436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C(=O)OC1CC(CCC1C(C)(C)C2=CC=CC=C2)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C30H39NO5/c1-6-35-26(32)20-30(5,31-27(33)22-13-9-7-10-14-22)28(34)36-25-19-21(2)17-18-24(25)29(3,4)23-15-11-8-12-16-23/h7-16,21,24-25H,6,17-20H2,1-5H3,(H,31,33)/t21-,24-,25-,30+/m1/s1