(E,4S,5S)-4-ethoxy-5-(4-methoxy-3-oxidanyl-phenyl)-5-(phenylcarbamoyloxy)pent-2-enoic acid

Systemtic Name: (E,4S,5S)-4-ethoxy-5-(4-methoxy-3-oxidanyl-phenyl)-5-(phenylcarbamoyloxy)pent-2-enoic acid Openeye Name: (E,4S,5S)-4-ethoxy-5-(3-hydroxy-4-methoxy-phenyl)-5-(phenylcarbamoyloxy)pent-2-enoic acid CAS Name: (E,4S,5S)-5-[anilino(oxo)methoxy]-4-ethoxy-5-(3-hydroxy-4-methoxyphenyl)-2-pentenoic acid IUPAC Name: (E,4S,5S)-4-ethoxy-5-(3-hydroxy-4-methoxyphenyl)-5-(phenylcarbamoyloxy)pent-2-enoic acid Traditional Name: (E,4S,5S)-4-ethoxy-5-(3-hydroxy-4-methoxy-phenyl)-5-(phenylcarbamoyloxy)pent-2-enoic acid Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C=CC(=O)O)C(C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCO[C@@H](/C=C/C(=O)O)[C@H](C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H23NO7/c1-3-28-18(11-12-19(24)25)20(14-9-10-17(27-2)16(23)13-14)29-21(26)22-15-7-5-4-6-8-15/h4-13,18,20,23H,3H2,1-2H3,(H,22,26)(H,24,25)/b12-11+/t18-,20-/m0/s1