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

Systemtic Name: [3-(aminomethyl)-2-(dipropylamino)-2,3-dihydro-1-benzofuran-5-yl] N-propylcarbamate; ethanedioic acid Openeye Name: [3-(aminomethyl)-2-(dipropylamino)-2,3-dihydrobenzofuran-5-yl] N-propylcarbamate; oxalic acid CAS Name: oxalic acid; N-propylcarbamic acid [3-(aminomethyl)-2-(dipropylamino)-2,3-dihydrobenzofuran-5-yl] ester IUPAC Name: [3-(aminomethyl)-2-(dipropylamino)-2,3-dihydro-1-benzofuran-5-yl] N-propylcarbamate; oxalic acid Traditional Name: oxalic acid; N-propylcarbamic acid [3-(aminomethyl)-2-(dipropylamino)coumaran-5-yl] ester Formula: C21H33N3O7 MolecularWeight: 439.50262

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)OC1=CC2=C(C=C1)OC(C2CN)N(CCC)CCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCNC(=O)OC1=CC2=C(C=C1)OC(C2CN)N(CCC)CCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H31N3O3.C2H2O4/c1-4-9-21-19(23)24-14-7-8-17-15(12-14)16(13-20)18(25-17)22(10-5-2)11-6-3;3-1(4)2(5)6/h7-8,12,16,18H,4-6,9-11,13,20H2,1-3H3,(H,21,23);(H,3,4)(H,5,6)