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

Systemtic Name: (E,5R)-5-(4-methoxy-3-oxidanyl-phenyl)-5-[(4-methylphenyl)carbamoyloxy]pent-2-enoic acid Openeye Name: (E,5R)-5-(3-hydroxy-4-methoxy-phenyl)-5-(p-tolylcarbamoyloxy)pent-2-enoic acid CAS Name: (E,5R)-5-(3-hydroxy-4-methoxyphenyl)-5-[(4-methylanilino)-oxomethoxy]-2-pentenoic acid IUPAC Name: (E,5R)-5-(3-hydroxy-4-methoxyphenyl)-5-[(4-methylphenyl)carbamoyloxy]pent-2-enoic acid Traditional Name: (E,5R)-5-(3-hydroxy-4-methoxy-phenyl)-5-(p-tolylcarbamoyloxy)pent-2-enoic acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)OC(CC=CC(=O)O)C2=CC(=C(C=C2)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)O[C@H](C/C=C/C(=O)O)C2=CC(=C(C=C2)OC)O

InChI

InChI=1S/C20H21NO6/c1-13-6-9-15(10-7-13)21-20(25)27-17(4-3-5-19(23)24)14-8-11-18(26-2)16(22)12-14/h3,5-12,17,22H,4H2,1-2H3,(H,21,25)(H,23,24)/b5-3+/t17-/m1/s1