O1-tert-butyl O5-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S,3S)-2-[(diphenylmethylidene)amino]-3-phenyl-pentanedioate

Systemtic Name: O1-tert-butyl O5-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S,3S)-2-[(diphenylmethylidene)amino]-3-phenyl-pentanedioate Openeye Name: O1-tert-butyl O5-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S,3S)-2-(benzhydrylideneamino)-3-phenyl-pentanedioate CAS Name: (2S,3S)-2-[(diphenylmethylene)amino]-3-phenylpentanedioic acid O1-tert-butyl ester O5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: 1-O-tert-butyl 5-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S,3S)-2-(benzhydrylideneamino)-3-phenylpentanedioate Traditional Name: (2S,3S)-2-(benzhydrylideneamino)-3-phenyl-glutaric acid O1-tert-butyl ester O5-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C38H47NO4 MolecularWeight: 581.78408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC(C2=CC=CC=C2)C(C(=O)OC(C)(C)C)N=C(C3=CC=CC=C3)C4=CC=CC=C4)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[C@@H](C2=CC=CC=C2)[C@@H](C(=O)OC(C)(C)C)N=C(C3=CC=CC=C3)C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C38H47NO4/c1-26(2)31-23-22-27(3)24-33(31)42-34(40)25-32(28-16-10-7-11-17-28)36(37(41)43-38(4,5)6)39-35(29-18-12-8-13-19-29)30-20-14-9-15-21-30/h7-21,26-27,31-33,36H,22-25H2,1-6H3/t27-,31+,32+,33-,36+/m1/s1