[3-[(dipropylamino)methyl]-2,3-dihydro-1-benzofuran-5-yl] N-nonylcarbamate; ethanedioic acid

Systemtic Name: [3-[(dipropylamino)methyl]-2,3-dihydro-1-benzofuran-5-yl] N-nonylcarbamate; ethanedioic acid Openeye Name: [3-[(dipropylamino)methyl]-2,3-dihydrobenzofuran-5-yl] N-nonylcarbamate; oxalic acid CAS Name: N-nonylcarbamic acid [3-[(dipropylamino)methyl]-2,3-dihydrobenzofuran-5-yl] ester; oxalic acid IUPAC Name: [3-[(dipropylamino)methyl]-2,3-dihydro-1-benzofuran-5-yl] N-nonylcarbamate; oxalic acid Traditional Name: N-nonylcarbamic acid [3-[(dipropylamino)methyl]coumaran-5-yl] ester; oxalic acid Formula: C27H44N2O7 MolecularWeight: 508.64746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCNC(=O)OC1=CC2=C(C=C1)OCC2CN(CCC)CCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCNC(=O)OC1=CC2=C(C=C1)OCC2CN(CCC)CCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H42N2O3.C2H2O4/c1-4-7-8-9-10-11-12-15-26-25(28)30-22-13-14-24-23(18-22)21(20-29-24)19-27(16-5-2)17-6-3;3-1(4)2(5)6/h13-14,18,21H,4-12,15-17,19-20H2,1-3H3,(H,26,28);(H,3,4)(H,5,6)