bis(phenylmethyl) (2S)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butanedioate

Systemtic Name: bis(phenylmethyl) (2S)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butanedioate Openeye Name: dibenzyl (2S)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butanedioate CAS Name: (2S)-2-[[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enyl]amino]butanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl (2S)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butanedioate Traditional Name: (2S)-2-[[(E)-3-(4-hydroxyphenyl)acryloyl]amino]succinic acid dibenzyl ester Formula: C27H25NO6 MolecularWeight: 459.4905

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C=CC3=CC=C(C=C3)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)/C=C/C3=CC=C(C=C3)O

InChI

InChI=1S/C27H25NO6/c29-23-14-11-20(12-15-23)13-16-25(30)28-24(27(32)34-19-22-9-5-2-6-10-22)17-26(31)33-18-21-7-3-1-4-8-21/h1-16,24,29H,17-19H2,(H,28,30)/b16-13+/t24-/m0/s1