3-[5-(1,3-benzodioxol-5-ylamino)pentyl-methyl-amino]-2-methyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[5-(1,3-benzodioxol-5-ylamino)pentyl-methyl-amino]-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[5-(1,3-benzodioxol-5-ylamino)pentyl-methyl-amino]-2-methyl-3-oxo-propanoic acid CAS Name: 3-[5-(1,3-benzodioxol-5-ylamino)pentyl-methylamino]-2-methyl-3-oxopropanoic acid IUPAC Name: 3-[5-(1,3-benzodioxol-5-ylamino)pentyl-methylamino]-2-methyl-3-oxopropanoic acid Traditional Name: 3-[5-(1,3-benzodioxol-5-ylamino)pentyl-methyl-amino]-3-keto-2-methyl-propionic acid Formula: C17H24N2O5 MolecularWeight: 336.38286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCCCCNC1=CC2=C(C=C1)OCO2)C(=O)O

Isomeric SMILES

CC(C(=O)N(C)CCCCCNC1=CC2=C(C=C1)OCO2)C(=O)O

InChI

InChI=1S/C17H24N2O5/c1-12(17(21)22)16(20)19(2)9-5-3-4-8-18-13-6-7-14-15(10-13)24-11-23-14/h6-7,10,12,18H,3-5,8-9,11H2,1-2H3,(H,21,22)