4-[1-azanyl-3-[2-(azonan-2-yl)phenyl]-1-oxidanylidene-but-3-en-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-[2-(azonan-2-yl)phenyl]-1-oxidanylidene-but-3-en-2-yl]benzoic acid Openeye Name: 4-[2-[2-(azonan-2-yl)phenyl]-1-carbamoyl-allyl]benzoic acid CAS Name: 4-[1-amino-3-[2-(2-azonanyl)phenyl]-1-oxobut-3-en-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-[2-(azonan-2-yl)phenyl]-1-oxobut-3-en-2-yl]benzoic acid Traditional Name: 4-[2-[2-(azonan-2-yl)phenyl]-1-carbamoyl-allyl]benzoic acid Formula: C25H30N2O3 MolecularWeight: 406.5173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC=CC=C1C2CCCCCCCN2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

C=C(C1=CC=CC=C1C2CCCCCCCN2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C25H30N2O3/c1-17(23(24(26)28)18-12-14-19(15-13-18)25(29)30)20-9-6-7-10-21(20)22-11-5-3-2-4-8-16-27-22/h6-7,9-10,12-15,22-23,27H,1-5,8,11,16H2,(H2,26,28)(H,29,30)