4-[1-azanyl-3-[2-(azepan-2-yl)phenyl]-1-oxidanylidene-hexan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-[2-(azepan-2-yl)phenyl]-1-oxidanylidene-hexan-2-yl]benzoic acid Openeye Name: 4-[2-[2-(azepan-2-yl)phenyl]-1-carbamoyl-pentyl]benzoic acid CAS Name: 4-[1-amino-3-[2-(2-azepanyl)phenyl]-1-oxohexan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-[2-(azepan-2-yl)phenyl]-1-oxohexan-2-yl]benzoic acid Traditional Name: 4-[2-[2-(azepan-2-yl)phenyl]-1-carbamoyl-pentyl]benzoic acid Formula: C25H32N2O3 MolecularWeight: 408.53318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1C2CCCCCN2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CCCC(C1=CC=CC=C1C2CCCCCN2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C25H32N2O3/c1-2-8-21(23(24(26)28)17-12-14-18(15-13-17)25(29)30)19-9-5-6-10-20(19)22-11-4-3-7-16-27-22/h5-6,9-10,12-15,21-23,27H,2-4,7-8,11,16H2,1H3,(H2,26,28)(H,29,30)