3-[[1-chloranyl-6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]methylamino]propanoic acid

Systemtic Name: 3-[[1-chloranyl-6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]methylamino]propanoic acid Openeye Name: 3-[[1-chloro-6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]methylamino]propanoic acid CAS Name: 3-[[1-chloro-6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]methylamino]propanoic acid IUPAC Name: 3-[[1-chloro-6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]methylamino]propanoic acid Traditional Name: 3-[[1-chloro-6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]methylamino]propionic acid Formula: C24H28ClNO3 MolecularWeight: 413.93702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C2=C1C=C(C=C2)OCCCCC3=CC=CC=C3)Cl)CNCCC(=O)O

Isomeric SMILES

C1CC(=C(C2=C1C=C(C=C2)OCCCCC3=CC=CC=C3)Cl)CNCCC(=O)O

InChI

InChI=1S/C24H28ClNO3/c25-24-20(17-26-14-13-23(27)28)10-9-19-16-21(11-12-22(19)24)29-15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,11-12,16,26H,4-5,8-10,13-15,17H2,(H,27,28)