(2S)-1-[(Z)-2-cyano-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(Z)-2-cyano-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(Z)-2-cyano-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(Z)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(Z)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(Z)-2-cyano-3-(3-hydroxy-4-methoxy-phenyl)acryloyl]proline Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)N2CCCC2C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(/C#N)\C(=O)N2CCC[C@H]2C(=O)O)O

InChI

InChI=1S/C16H16N2O5/c1-23-14-5-4-10(8-13(14)19)7-11(9-17)15(20)18-6-2-3-12(18)16(21)22/h4-5,7-8,12,19H,2-3,6H2,1H3,(H,21,22)/b11-7-/t12-/m0/s1