tert-butyl (E,4S)-2-[(3-chlorophenyl)methyl]-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate

Systemtic Name: tert-butyl (E,4S)-2-[(3-chlorophenyl)methyl]-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate Openeye Name: tert-butyl (E,4S)-4-(benzyloxycarbonylamino)-2-[(3-chlorophenyl)methyl]-5-phenyl-pent-2-enoate CAS Name: (E,4S)-2-[(3-chlorophenyl)methyl]-5-phenyl-4-(phenylmethoxycarbonylamino)-2-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,4S)-2-[(3-chlorophenyl)methyl]-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate Traditional Name: (E,4S)-4-(benzyloxycarbonylamino)-2-(3-chlorobenzyl)-5-phenyl-pent-2-enoic acid tert-butyl ester Formula: C30H32ClNO4 MolecularWeight: 506.03238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=CC(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)/C(=C/[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)/CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C30H32ClNO4/c1-30(2,3)36-28(33)25(17-24-15-10-16-26(31)18-24)20-27(19-22-11-6-4-7-12-22)32-29(34)35-21-23-13-8-5-9-14-23/h4-16,18,20,27H,17,19,21H2,1-3H3,(H,32,34)/b25-20+/t27-/m0/s1