(E,5R)-5-[(4-cyanophenyl)carbamoyloxy]-5-(4-methoxy-3-oxidanyl-phenyl)pent-2-enoic acid

Systemtic Name: (E,5R)-5-[(4-cyanophenyl)carbamoyloxy]-5-(4-methoxy-3-oxidanyl-phenyl)pent-2-enoic acid Openeye Name: (E,5R)-5-[(4-cyanophenyl)carbamoyloxy]-5-(3-hydroxy-4-methoxy-phenyl)pent-2-enoic acid CAS Name: (E,5R)-5-[(4-cyanoanilino)-oxomethoxy]-5-(3-hydroxy-4-methoxyphenyl)-2-pentenoic acid IUPAC Name: (E,5R)-5-[(4-cyanophenyl)carbamoyloxy]-5-(3-hydroxy-4-methoxyphenyl)pent-2-enoic acid Traditional Name: (E,5R)-5-[(4-cyanophenyl)carbamoyloxy]-5-(3-hydroxy-4-methoxy-phenyl)pent-2-enoic acid Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC=CC(=O)O)OC(=O)NC2=CC=C(C=C2)C#N)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C/C=C/C(=O)O)OC(=O)NC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C20H18N2O6/c1-27-18-10-7-14(11-16(18)23)17(3-2-4-19(24)25)28-20(26)22-15-8-5-13(12-21)6-9-15/h2,4-11,17,23H,3H2,1H3,(H,22,26)(H,24,25)/b4-2+/t17-/m1/s1