5-[methyl(3-xanthen-9-ylidenepropyl)amino]pentanoic acid

Systemtic Name: 5-[methyl(3-xanthen-9-ylidenepropyl)amino]pentanoic acid Openeye Name: 5-[methyl(3-xanthen-9-ylidenepropyl)amino]pentanoic acid CAS Name: 5-[methyl-[3-(9-xanthenylidene)propyl]amino]pentanoic acid IUPAC Name: 5-[methyl(3-xanthen-9-ylidenepropyl)amino]pentanoic acid Traditional Name: 5-[methyl(3-xanthen-9-ylidenepropyl)amino]valeric acid Formula: C22H25NO3 MolecularWeight: 351.4388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC(=O)O)CCC=C1C2=CC=CC=C2OC3=CC=CC=C31

Isomeric SMILES

CN(CCCCC(=O)O)CCC=C1C2=CC=CC=C2OC3=CC=CC=C31

InChI

InChI=1S/C22H25NO3/c1-23(15-7-6-14-22(24)25)16-8-11-17-18-9-2-4-12-20(18)26-21-13-5-3-10-19(17)21/h2-5,9-13H,6-8,14-16H2,1H3,(H,24,25)