1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(4-phenylphenoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(4-phenylphenoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(4-phenylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(4-phenylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(4-phenylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-(homoveratrylamino)-3-(4-phenylphenoxy)propan-2-ol; oxalic acid Formula: C27H31NO8 MolecularWeight: 497.53694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=CC=C(C=C2)C3=CC=CC=C3)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=CC=C(C=C2)C3=CC=CC=C3)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H29NO4.C2H2O4/c1-28-24-13-8-19(16-25(24)29-2)14-15-26-17-22(27)18-30-23-11-9-21(10-12-23)20-6-4-3-5-7-20;3-1(4)2(5)6/h3-13,16,22,26-27H,14-15,17-18H2,1-2H3;(H,3,4)(H,5,6)