tert-butyl (3R)-3-[[2-(methylamino)-2-oxidanylidene-ethyl]carbamoyl]-8-phenoxy-octanoate

Systemtic Name: tert-butyl (3R)-3-[[2-(methylamino)-2-oxidanylidene-ethyl]carbamoyl]-8-phenoxy-octanoate Openeye Name: tert-butyl (3R)-3-[[2-(methylamino)-2-oxo-ethyl]carbamoyl]-8-phenoxy-octanoate CAS Name: (3R)-3-[[[2-(methylamino)-2-oxoethyl]amino]-oxomethyl]-8-phenoxyoctanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]-8-phenoxyoctanoate Traditional Name: (3R)-3-[[2-keto-2-(methylamino)ethyl]carbamoyl]-8-phenoxy-caprylic acid tert-butyl ester Formula: C22H34N2O5 MolecularWeight: 406.51576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCCCOC1=CC=CC=C1)C(=O)NCC(=O)NC

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](CCCCCOC1=CC=CC=C1)C(=O)NCC(=O)NC

InChI

InChI=1S/C22H34N2O5/c1-22(2,3)29-20(26)15-17(21(27)24-16-19(25)23-4)11-7-6-10-14-28-18-12-8-5-9-13-18/h5,8-9,12-13,17H,6-7,10-11,14-16H2,1-4H3,(H,23,25)(H,24,27)/t17-/m1/s1