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

Systemtic Name: ethanedioic acid; 2-[(3-phenylpropylamino)methyl]-3,4-dihydro-2H-chromen-7-ol Openeye Name: oxalic acid; 2-[(3-phenylpropylamino)methyl]chroman-7-ol CAS Name: oxalic acid; 2-[(3-phenylpropylamino)methyl]-3,4-dihydro-2H-1-benzopyran-7-ol IUPAC Name: oxalic acid; 2-[(3-phenylpropylamino)methyl]-3,4-dihydro-2H-chromen-7-ol Traditional Name: oxalic acid; 2-[(3-phenylpropylamino)methyl]chroman-7-ol Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)O)OC1CNCCCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC2=C(C=C(C=C2)O)OC1CNCCCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23NO2.C2H2O4/c21-17-10-8-16-9-11-18(22-19(16)13-17)14-20-12-4-7-15-5-2-1-3-6-15;3-1(4)2(5)6/h1-3,5-6,8,10,13,18,20-21H,4,7,9,11-12,14H2;(H,3,4)(H,5,6)