3-[4-[2-(9-acetamido-9,10-dihydroanthracen-1-yl)ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(9-acetamido-9,10-dihydroanthracen-1-yl)ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(9-acetamido-9,10-dihydroanthracen-1-yl)ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-(9-acetamido-9,10-dihydroanthracen-1-yl)ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(9-acetamido-9,10-dihydroanthracen-1-yl)ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(9-acetamido-9,10-dihydroanthracen-1-yl)ethyl]phenyl]propionic acid Formula: C27H27NO3 MolecularWeight: 413.50818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2=CC=CC=C2CC3=C1C(=CC=C3)CCC4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

CC(=O)NC1C2=CC=CC=C2CC3=C1C(=CC=C3)CCC4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C27H27NO3/c1-18(29)28-27-24-8-3-2-5-22(24)17-23-7-4-6-21(26(23)27)15-13-19-9-11-20(12-10-19)14-16-25(30)31/h2-12,27H,13-17H2,1H3,(H,28,29)(H,30,31)