[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-[(2-methoxyphenyl)amino]-3-phenyl-propanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-[(2-methoxyphenyl)amino]-3-phenyl-propanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S)-2-(2-methoxyanilino)-3-phenyl-propanoate CAS Name: (2S)-2-(2-methoxyanilino)-3-phenylpropanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(2-methoxyanilino)-3-phenylpropanoate Traditional Name: (2S)-2-(o-anisidino)-3-phenyl-propionic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C26H35NO3 MolecularWeight: 409.561

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(CC2=CC=CC=C2)NC3=CC=CC=C3OC)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H](CC2=CC=CC=C2)NC3=CC=CC=C3OC)C(C)C

InChI

InChI=1S/C26H35NO3/c1-18(2)21-15-14-19(3)16-25(21)30-26(28)23(17-20-10-6-5-7-11-20)27-22-12-8-9-13-24(22)29-4/h5-13,18-19,21,23,25,27H,14-17H2,1-4H3/t19-,21+,23+,25-/m1/s1