dimethyl (2R)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]butanedioate

Systemtic Name: dimethyl (2R)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]butanedioate Openeye Name: dimethyl (2R)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]butanedioate CAS Name: (2R)-2-[[(E)-1-oxo-3-(3-phenoxyphenyl)prop-2-enyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2R)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]butanedioate Traditional Name: (2R)-2-[[(E)-3-(3-phenoxyphenyl)acryloyl]amino]succinic acid dimethyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6/c1-26-20(24)14-18(21(25)27-2)22-19(23)12-11-15-7-6-10-17(13-15)28-16-8-4-3-5-9-16/h3-13,18H,14H2,1-2H3,(H,22,23)/b12-11+/t18-/m1/s1