(phenylmethyl) (E)-4-oxidanylidene-6-phenyl-5-(phenylmethoxycarbonylamino)hex-2-enoate

Systemtic Name: (phenylmethyl) (E)-4-oxidanylidene-6-phenyl-5-(phenylmethoxycarbonylamino)hex-2-enoate Openeye Name: benzyl (E)-5-(benzyloxycarbonylamino)-4-oxo-6-phenyl-hex-2-enoate CAS Name: (E)-4-oxo-6-phenyl-5-(phenylmethoxycarbonylamino)-2-hexenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-4-oxo-6-phenyl-5-(phenylmethoxycarbonylamino)hex-2-enoate Traditional Name: (E)-5-(benzyloxycarbonylamino)-4-keto-6-phenyl-hex-2-enoic acid benzyl ester Formula: C27H25NO5 MolecularWeight: 443.4911

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C=CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)/C=C/C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H25NO5/c29-25(16-17-26(30)32-19-22-12-6-2-7-13-22)24(18-21-10-4-1-5-11-21)28-27(31)33-20-23-14-8-3-9-15-23/h1-17,24H,18-20H2,(H,28,31)/b17-16+