(E,5S)-5-[(4-bromophenyl)carbamoyloxy]-5-(4-oxidanylnaphthalen-1-yl)pent-2-enoic acid

Systemtic Name: (E,5S)-5-[(4-bromophenyl)carbamoyloxy]-5-(4-oxidanylnaphthalen-1-yl)pent-2-enoic acid Openeye Name: (E,5S)-5-[(4-bromophenyl)carbamoyloxy]-5-(4-hydroxy-1-naphthyl)pent-2-enoic acid CAS Name: (E,5S)-5-[(4-bromoanilino)-oxomethoxy]-5-(4-hydroxy-1-naphthalenyl)-2-pentenoic acid IUPAC Name: (E,5S)-5-[(4-bromophenyl)carbamoyloxy]-5-(4-hydroxynaphthalen-1-yl)pent-2-enoic acid Traditional Name: (E,5S)-5-[(4-bromophenyl)carbamoyloxy]-5-(4-hydroxy-1-naphthyl)pent-2-enoic acid Formula: C22H18BrNO5 MolecularWeight: 456.28602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2O)C(CC=CC(=O)O)OC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2O)[C@H](C/C=C/C(=O)O)OC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H18BrNO5/c23-14-8-10-15(11-9-14)24-22(28)29-20(6-3-7-21(26)27)18-12-13-19(25)17-5-2-1-4-16(17)18/h1-5,7-13,20,25H,6H2,(H,24,28)(H,26,27)/b7-3+/t20-/m0/s1