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

Systemtic Name: (4,4-diethylcyclohexyl) (3S)-3-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: (4,4-diethylcyclohexyl) (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-diethylcyclohexyl) ester IUPAC Name: (4,4-diethylcyclohexyl) (3S)-3-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: (3S)-3-(vanillylcarbamoyl)pyrrolidine-1-carboxylic acid (4,4-diethylcyclohexyl) ester Formula: C24H36N2O5 MolecularWeight: 432.55304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(CC1)OC(=O)N2CCC(C2)C(=O)NCC3=CC(=C(C=C3)O)OC)CC

Isomeric SMILES

CCC1(CCC(CC1)OC(=O)N2CC[C@@H](C2)C(=O)NCC3=CC(=C(C=C3)O)OC)CC

InChI

InChI=1S/C24H36N2O5/c1-4-24(5-2)11-8-19(9-12-24)31-23(29)26-13-10-18(16-26)22(28)25-15-17-6-7-20(27)21(14-17)30-3/h6-7,14,18-19,27H,4-5,8-13,15-16H2,1-3H3,(H,25,28)/t18-/m0/s1