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

Systemtic Name: ethanedioic acid; (2R)-2-[(4-phenylbutylamino)methyl]-3,4-dihydro-2H-chromen-7-ol Openeye Name: oxalic acid; (2R)-2-[(4-phenylbutylamino)methyl]chroman-7-ol CAS Name: oxalic acid; (2R)-2-[(4-phenylbutylamino)methyl]-3,4-dihydro-2H-1-benzopyran-7-ol IUPAC Name: oxalic acid; (2R)-2-[(4-phenylbutylamino)methyl]-3,4-dihydro-2H-chromen-7-ol Traditional Name: oxalic acid; (2R)-2-[(4-phenylbutylamino)methyl]chroman-7-ol Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)O)OC1CNCCCCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC2=C(C=C(C=C2)O)O[C@H]1CNCCCCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25NO2.C2H2O4/c22-18-11-9-17-10-12-19(23-20(17)14-18)15-21-13-5-4-8-16-6-2-1-3-7-16;3-1(4)2(5)6/h1-3,6-7,9,11,14,19,21-22H,4-5,8,10,12-13,15H2;(H,3,4)(H,5,6)/t19-;/m1./s1