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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)OC(=O)N2CCC(C2)C(=O)NCC3=CC(=C(C=C3)O)OC

Isomeric SMILES

CCC1CCC(CC1)OC(=O)N2CC[C@@H](C2)C(=O)NCC3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C22H32N2O5/c1-3-15-4-7-18(8-5-15)29-22(27)24-11-10-17(14-24)21(26)23-13-16-6-9-19(25)20(12-16)28-2/h6,9,12,15,17-18,25H,3-5,7-8,10-11,13-14H2,1-2H3,(H,23,26)/t15?,17-,18?/m0/s1