(E,7R)-7-[(4-bromophenyl)carbamoyloxy]-7-(4-methoxy-3-oxidanyl-phenyl)hept-2-enoic acid

Systemtic Name: (E,7R)-7-[(4-bromophenyl)carbamoyloxy]-7-(4-methoxy-3-oxidanyl-phenyl)hept-2-enoic acid Openeye Name: (E,7R)-7-[(4-bromophenyl)carbamoyloxy]-7-(3-hydroxy-4-methoxy-phenyl)hept-2-enoic acid CAS Name: (E,7R)-7-[(4-bromoanilino)-oxomethoxy]-7-(3-hydroxy-4-methoxyphenyl)-2-heptenoic acid IUPAC Name: (E,7R)-7-[(4-bromophenyl)carbamoyloxy]-7-(3-hydroxy-4-methoxyphenyl)hept-2-enoic acid Traditional Name: (E,7R)-7-[(4-bromophenyl)carbamoyloxy]-7-(3-hydroxy-4-methoxy-phenyl)hept-2-enoic acid Formula: C21H22BrNO6 MolecularWeight: 464.30648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCC=CC(=O)O)OC(=O)NC2=CC=C(C=C2)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO6/c1-28-19-12-7-14(13-17(19)24)18(5-3-2-4-6-20(25)26)29-21(27)23-16-10-8-15(22)9-11-16/h4,6-13,18,24H,2-3,5H2,1H3,(H,23,27)(H,25,26)/b6-4+/t18-/m1/s1