tert-butyl (E)-12-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]oxydodec-2-enoate

Systemtic Name: tert-butyl (E)-12-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]oxydodec-2-enoate Openeye Name: tert-butyl (E)-12-[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]oxydodec-2-enoate CAS Name: (E)-12-[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propoxy]-2-dodecenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-12-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]oxydodec-2-enoate Traditional Name: (E)-12-[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]oxydodec-2-enoic acid tert-butyl ester Formula: C33H45NO6 MolecularWeight: 551.7135

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CCCCCCCCCCOC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/CCCCCCCCCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C33H45NO6/c1-33(2,3)40-30(35)23-17-9-7-5-4-6-8-10-18-24-38-31(36)29(25-27-19-13-11-14-20-27)34-32(37)39-26-28-21-15-12-16-22-28/h11-17,19-23,29H,4-10,18,24-26H2,1-3H3,(H,34,37)/b23-17+/t29-/m0/s1