[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C=CC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)/C=C/C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H21NO5/c1-15(21(24)22-17-6-3-2-4-7-17)27-20(23)11-9-16-8-10-18-19(14-16)26-13-5-12-25-18/h2-4,6-11,14-15H,5,12-13H2,1H3,(H,22,24)/b11-9+/t15-/m1/s1