methyl 4-[(E)-3-[2-(phenylmethoxycarbonylamino)propanoylamino]prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[2-(phenylmethoxycarbonylamino)propanoylamino]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[2-(benzyloxycarbonylamino)propanoylamino]prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[2-(phenylmethoxycarbonylamino)propanoylamino]prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[2-(benzyloxycarbonylamino)propanoylamino]prop-1-enyl]benzoic acid methyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5/c1-16(24-22(27)29-15-18-7-4-3-5-8-18)20(25)23-14-6-9-17-10-12-19(13-11-17)21(26)28-2/h3-13,16H,14-15H2,1-2H3,(H,23,25)(H,24,27)/b9-6+