6-azanylhexanoyl 4-(aminomethyl)-2,6-bis(oxidanyl)benzoate

Systemtic Name: 6-azanylhexanoyl 4-(aminomethyl)-2,6-bis(oxidanyl)benzoate Openeye Name: 6-aminohexanoyl 4-(aminomethyl)-2,6-dihydroxy-benzoate CAS Name: 4-(aminomethyl)-2,6-dihydroxybenzoic acid (6-amino-1-oxohexyl) ester IUPAC Name: 6-aminohexanoyl 4-(aminomethyl)-2,6-dihydroxybenzoate Traditional Name: 4-(aminomethyl)-2,6-dihydroxy-benzoic acid 6-aminohexanoyl ester Formula: C14H20N2O5 MolecularWeight: 296.319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)C(=O)OC(=O)CCCCCN)O)CN

Isomeric SMILES

C1=C(C=C(C(=C1O)C(=O)OC(=O)CCCCCN)O)CN

InChI

InChI=1S/C14H20N2O5/c15-5-3-1-2-4-12(19)21-14(20)13-10(17)6-9(8-16)7-11(13)18/h6-7,17-18H,1-5,8,15-16H2