5-(2-azanylpropyl)-4,5-diethyl-4H-1,3-benzodioxole-2,2-dicarboxylic acid

Systemtic Name: 5-(2-azanylpropyl)-4,5-diethyl-4H-1,3-benzodioxole-2,2-dicarboxylic acid Openeye Name: 5-(2-aminopropyl)-4,5-diethyl-4H-1,3-benzodioxole-2,2-dicarboxylic acid CAS Name: 5-(2-aminopropyl)-4,5-diethyl-4H-1,3-benzodioxole-2,2-dicarboxylic acid IUPAC Name: 5-(2-aminopropyl)-4,5-diethyl-4H-1,3-benzodioxole-2,2-dicarboxylic acid Traditional Name: 5-(2-aminopropyl)-4,5-diethyl-4H-1,3-benzodioxole-2,2-dicarboxylic acid Formula: C16H23NO6 MolecularWeight: 325.35692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(C=CC1(CC)CC(C)N)OC(O2)(C(=O)O)C(=O)O

Isomeric SMILES

CCC1C2=C(C=CC1(CC)CC(C)N)OC(O2)(C(=O)O)C(=O)O

InChI

InChI=1S/C16H23NO6/c1-4-10-12-11(6-7-15(10,5-2)8-9(3)17)22-16(23-12,13(18)19)14(20)21/h6-7,9-10H,4-5,8,17H2,1-3H3,(H,18,19)(H,20,21)