[(1S)-1-[(1S,2S)-2-methoxycyclohexyl]-3,3-dimethyl-cyclopentyl]methyl 4-nitrobenzoate

Systemtic Name: [(1S)-1-[(1S,2S)-2-methoxycyclohexyl]-3,3-dimethyl-cyclopentyl]methyl 4-nitrobenzoate Openeye Name: [(1S)-1-[(1S,2S)-2-methoxycyclohexyl]-3,3-dimethyl-cyclopentyl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S)-1-[(1S,2S)-2-methoxycyclohexyl]-3,3-dimethylcyclopentyl]methyl ester IUPAC Name: [(1S)-1-[(1S,2S)-2-methoxycyclohexyl]-3,3-dimethylcyclopentyl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-1-[(1S,2S)-2-methoxycyclohexyl]-3,3-dimethyl-cyclopentyl]methyl ester Formula: C22H31NO5 MolecularWeight: 389.48524

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C1)(COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3CCCCC3OC)C

Isomeric SMILES

CC1(CC[C@@](C1)(COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[C@@H]3CCCC[C@@H]3OC)C

InChI

InChI=1S/C22H31NO5/c1-21(2)12-13-22(14-21,18-6-4-5-7-19(18)27-3)15-28-20(24)16-8-10-17(11-9-16)23(25)26/h8-11,18-19H,4-7,12-15H2,1-3H3/t18-,19+,22-/m1/s1