[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-propenoic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)acrylic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C=CC(=O)OC(C)C(=O)NC2=CC=CC=C2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2)OC

InChI

InChI=1S/C21H22ClNO5/c1-4-27-20-17(22)12-15(13-18(20)26-3)10-11-19(24)28-14(2)21(25)23-16-8-6-5-7-9-16/h5-14H,4H2,1-3H3,(H,23,25)/b11-10+/t14-/m1/s1