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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3R)-3-[(4-nitrophenyl)amino]-3-phenyl-propanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (3R)-3-(4-nitroanilino)-3-phenyl-propanoate CAS Name: (3R)-3-(4-nitroanilino)-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-nitroanilino)-3-phenylpropanoate Traditional Name: (3R)-3-(4-nitroanilino)-3-phenyl-propionic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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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)[N+](=O)[O-])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)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C25H32N2O4/c1-17(2)22-14-9-18(3)15-24(22)31-25(28)16-23(19-7-5-4-6-8-19)26-20-10-12-21(13-11-20)27(29)30/h4-8,10-13,17-18,22-24,26H,9,14-16H2,1-3H3/t18-,22+,23-,24-/m1/s1