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

Systemtic Name: methyl 4-[(E,4R)-4-methyl-5-(methylamino)-5-oxidanylidene-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Openeye Name: methyl 4-[(E,4R)-1-(benzyloxycarbonylamino)-4-methyl-5-(methylamino)-5-oxo-pent-2-enyl]benzoate CAS Name: 4-[(E,4R)-4-methyl-5-(methylamino)-5-oxo-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E,4R)-4-methyl-5-(methylamino)-5-oxo-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Traditional Name: 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-keto-4-methyl-5-(methylamino)pent-2-enyl]benzoic acid methyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5/c1-16(21(26)24-2)9-14-20(18-10-12-19(13-11-18)22(27)29-3)25-23(28)30-15-17-7-5-4-6-8-17/h4-14,16,20H,15H2,1-3H3,(H,24,26)(H,25,28)/b14-9+/t16-,20?/m1/s1