dimethyl (2S)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]pentanedioate Openeye Name: dimethyl (2S)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]pentanedioate CAS Name: (2S)-2-[[(E)-1-oxo-3-(3-phenoxyphenyl)prop-2-enyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(E)-3-(3-phenoxyphenyl)acryloyl]amino]glutaric acid dimethyl ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)NC(=O)C=CC1=CC(=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC[C@@H](C(=O)OC)NC(=O)/C=C/C1=CC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C22H23NO6/c1-27-21(25)14-12-19(22(26)28-2)23-20(24)13-11-16-7-6-10-18(15-16)29-17-8-4-3-5-9-17/h3-11,13,15,19H,12,14H2,1-2H3,(H,23,24)/b13-11+/t19-/m0/s1