(phenylmethyl) (2S)-2-[[(E)-but-2-enoyl]amino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(E)-but-2-enoyl]amino]-3-phenyl-propanoate Openeye Name: benzyl (2S)-2-[[(E)-but-2-enoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(E)-1-oxobut-2-enyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(E)-but-2-enoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(E)-but-2-enoyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H21NO3/c1-2-9-19(22)21-18(14-16-10-5-3-6-11-16)20(23)24-15-17-12-7-4-8-13-17/h2-13,18H,14-15H2,1H3,(H,21,22)/b9-2+/t18-/m0/s1