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

Systemtic Name: 2-[[3-(3-azanyl-4-methyl-phenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol; ethanedioic acid Openeye Name: 2-[[3-(3-amino-4-methyl-phenoxy)propylamino]methyl]chroman-7-ol; oxalic acid CAS Name: 2-[[3-(3-amino-4-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-1-benzopyran-7-ol; oxalic acid IUPAC Name: 2-[[3-(3-amino-4-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol; oxalic acid Traditional Name: 2-[[3-(3-amino-4-methyl-phenoxy)propylamino]methyl]chroman-7-ol; oxalic acid Formula: C22H28N2O7 MolecularWeight: 432.46692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCCNCC2CCC3=C(O2)C=C(C=C3)O)N.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)OCCCNCC2CCC3=C(O2)C=C(C=C3)O)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26N2O3.C2H2O4/c1-14-3-7-17(12-19(14)21)24-10-2-9-22-13-18-8-5-15-4-6-16(23)11-20(15)25-18;3-1(4)2(5)6/h3-4,6-7,11-12,18,22-23H,2,5,8-10,13,21H2,1H3;(H,3,4)(H,5,6)