[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3R)-3-[(4-methoxyphenyl)amino]-3-phenyl-propanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3R)-3-[(4-methoxyphenyl)amino]-3-phenyl-propanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (3R)-3-(4-methoxyanilino)-3-phenyl-propanoate CAS Name: (3R)-3-(4-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] (3R)-3-(4-methoxyanilino)-3-phenylpropanoate Traditional Name: (3R)-3-(p-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)CC(C2=CC=CC=C2)NC3=CC=C(C=C3)OC)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[C@H](C2=CC=CC=C2)NC3=CC=C(C=C3)OC)C(C)C

InChI

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