[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 8-(phenylmethoxycarbonylamino)octanoate

Systemtic Name: [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 8-(phenylmethoxycarbonylamino)octanoate Openeye Name: [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 8-(benzyloxycarbonylamino)octanoate CAS Name: 8-(phenylmethoxycarbonylamino)octanoic acid [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 8-(phenylmethoxycarbonylamino)octanoate Traditional Name: 8-(benzyloxycarbonylamino)caprylic acid [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester Formula: C22H33NO6 MolecularWeight: 407.50052

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)COC(=O)CCCCCCCNC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1(OC[C@H](O1)COC(=O)CCCCCCCNC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C22H33NO6/c1-22(2)28-17-19(29-22)16-26-20(24)13-9-4-3-5-10-14-23-21(25)27-15-18-11-7-6-8-12-18/h6-8,11-12,19H,3-5,9-10,13-17H2,1-2H3,(H,23,25)/t19-/m1/s1