[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3)O

InChI

InChI=1S/C21H21NO5/c1-26-18-13-14(7-11-17(18)23)8-12-19(24)27-20(15-5-3-2-4-6-15)21(25)22-16-9-10-16/h2-8,11-13,16,20,23H,9-10H2,1H3,(H,22,25)/b12-8+/t20-/m1/s1