(phenylmethyl) (2S)-2-[2-chloranylethanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[2-chloranylethanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenyl-propanoate Openeye Name: benzyl (2S)-2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(2-chloro-1-oxoethyl)-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-chloroacetyl)-p-anisyl-amino]-3-phenyl-propionic acid benzyl ester Formula: C26H26ClNO4 MolecularWeight: 451.94194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)CCl

Isomeric SMILES

COC1=CC=C(C=C1)CN([C@@H](CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)CCl

InChI

InChI=1S/C26H26ClNO4/c1-31-23-14-12-21(13-15-23)18-28(25(29)17-27)24(16-20-8-4-2-5-9-20)26(30)32-19-22-10-6-3-7-11-22/h2-15,24H,16-19H2,1H3/t24-/m0/s1