2-[[3-(3-azanyl-4-chloranyl-phenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol; ethanedioic acid

Systemtic Name: 2-[[3-(3-azanyl-4-chloranyl-phenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol; ethanedioic acid Openeye Name: 2-[[3-(3-amino-4-chloro-phenoxy)propylamino]methyl]chroman-7-ol; oxalic acid CAS Name: 2-[[3-(3-amino-4-chlorophenoxy)propylamino]methyl]-3,4-dihydro-2H-1-benzopyran-7-ol; oxalic acid IUPAC Name: 2-[[3-(3-amino-4-chlorophenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol; oxalic acid Traditional Name: 2-[[3-(3-amino-4-chloro-phenoxy)propylamino]methyl]chroman-7-ol; oxalic acid Formula: C21H25ClN2O7 MolecularWeight: 452.8854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)O)OC1CNCCCOC3=CC(=C(C=C3)Cl)N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC2=C(C=C(C=C2)O)OC1CNCCCOC3=CC(=C(C=C3)Cl)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23ClN2O3.C2H2O4/c20-17-7-6-15(11-18(17)21)24-9-1-8-22-12-16-5-3-13-2-4-14(23)10-19(13)25-16;3-1(4)2(5)6/h2,4,6-7,10-11,16,22-23H,1,3,5,8-9,12,21H2;(H,3,4)(H,5,6)