(4,4-dimethylcyclohexyl) (3S)-3-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (4,4-dimethylcyclohexyl) (3S)-3-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: (4,4-dimethylcyclohexyl) (3S)-3-[(4-hydroxy-3-methoxy-phenyl)methylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: (3S)-3-[[(4-hydroxy-3-methoxyphenyl)methylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid (4,4-dimethylcyclohexyl) ester IUPAC Name: (4,4-dimethylcyclohexyl) (3S)-3-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: (3S)-3-(vanillylcarbamoyl)pyrrolidine-1-carboxylic acid (4,4-dimethylcyclohexyl) ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)OC(=O)N2CCC(C2)C(=O)NCC3=CC(=C(C=C3)O)OC)C

Isomeric SMILES

CC1(CCC(CC1)OC(=O)N2CC[C@@H](C2)C(=O)NCC3=CC(=C(C=C3)O)OC)C

InChI

InChI=1S/C22H32N2O5/c1-22(2)9-6-17(7-10-22)29-21(27)24-11-8-16(14-24)20(26)23-13-15-4-5-18(25)19(12-15)28-3/h4-5,12,16-17,25H,6-11,13-14H2,1-3H3,(H,23,26)/t16-/m0/s1