tert-butyl (E,2S)-5-(4-chlorophenyl)-2-(phenylmethoxycarbonylamino)pent-4-enoate

Systemtic Name: tert-butyl (E,2S)-5-(4-chlorophenyl)-2-(phenylmethoxycarbonylamino)pent-4-enoate Openeye Name: tert-butyl (E,2S)-2-(benzyloxycarbonylamino)-5-(4-chlorophenyl)pent-4-enoate CAS Name: (E,2S)-5-(4-chlorophenyl)-2-(phenylmethoxycarbonylamino)-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,2S)-5-(4-chlorophenyl)-2-(phenylmethoxycarbonylamino)pent-4-enoate Traditional Name: (E,2S)-2-(benzyloxycarbonylamino)-5-(4-chlorophenyl)pent-4-enoic acid tert-butyl ester Formula: C23H26ClNO4 MolecularWeight: 415.90984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO4/c1-23(2,3)29-21(26)20(11-7-10-17-12-14-19(24)15-13-17)25-22(27)28-16-18-8-5-4-6-9-18/h4-10,12-15,20H,11,16H2,1-3H3,(H,25,27)/b10-7+/t20-/m0/s1