[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate

Systemtic Name: [(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxyphenyl)-2-propenoic acid [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-methoxyphenyl)acrylic acid [(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4/c1-25-18-9-5-6-15(14-18)10-13-19(23)26-20(16-7-3-2-4-8-16)21(24)22-17-11-12-17/h2-10,13-14,17,20H,11-12H2,1H3,(H,22,24)/b13-10+/t20-/m0/s1