methyl 4-[(E,4R)-5-(dimethylamino)-4-methyl-5-oxidanylidene-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate

Systemtic Name: methyl 4-[(E,4R)-5-(dimethylamino)-4-methyl-5-oxidanylidene-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Openeye Name: methyl 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-(dimethylamino)-4-methyl-5-oxo-pent-2-enyl]benzoate CAS Name: 4-[(E,4R)-5-(dimethylamino)-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E,4R)-5-(dimethylamino)-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Traditional Name: 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-(dimethylamino)-5-keto-4-methyl-pent-2-enyl]benzoic acid methyl ester Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC(C1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2)C(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5/c1-17(22(27)26(2)3)10-15-21(19-11-13-20(14-12-19)23(28)30-4)25-24(29)31-16-18-8-6-5-7-9-18/h5-15,17,21H,16H2,1-4H3,(H,25,29)/b15-10+/t17-,21?/m1/s1