[(1R,2S,5R)-5-methyl-2-(2-naphthalen-2-ylpropan-2-yl)cyclohexyl] (2R)-2-benzamido-2-ethenyl-5-[(phenylmethylidene)amino]pentanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-naphthalen-2-ylpropan-2-yl)cyclohexyl] (2R)-2-benzamido-2-ethenyl-5-[(phenylmethylidene)amino]pentanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-[1-methyl-1-(2-naphthyl)ethyl]cyclohexyl] (2R)-2-benzamido-5-(benzylideneamino)-2-vinyl-pentanoate CAS Name: (2R)-2-benzamido-2-ethenyl-5-[(phenylmethylene)amino]pentanoic acid [(1R,2S,5R)-5-methyl-2-[2-(2-naphthalenyl)propan-2-yl]cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-naphthalen-2-ylpropan-2-yl)cyclohexyl] (2R)-2-benzamido-5-(benzylideneamino)-2-ethenylpentanoate Traditional Name: (2R)-2-[3-(benzalamino)propyl]-2-benzamido-but-3-enoic acid [(1R,2S,5R)-5-methyl-2-[1-methyl-1-(2-naphthyl)ethyl]cyclohexyl] ester Formula: C41H46N2O3 MolecularWeight: 614.81554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(CCCN=CC2=CC=CC=C2)(C=C)NC(=O)C3=CC=CC=C3)C(C)(C)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@](CCCN=CC2=CC=CC=C2)(C=C)NC(=O)C3=CC=CC=C3)C(C)(C)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C41H46N2O3/c1-5-41(43-38(44)33-18-10-7-11-19-33,25-14-26-42-29-31-15-8-6-9-16-31)39(45)46-37-27-30(2)21-24-36(37)40(3,4)35-23-22-32-17-12-13-20-34(32)28-35/h5-13,15-20,22-23,28-30,36-37H,1,14,21,24-27H2,2-4H3,(H,43,44)/t30-,36-,37-,41+/m1/s1