ethanedioic acid; 3-(phenethylamino)propyl 3,4,5-trimethoxybenzoate

Systemtic Name: ethanedioic acid; 3-(phenethylamino)propyl 3,4,5-trimethoxybenzoate Openeye Name: oxalic acid; 3-(phenethylamino)propyl 3,4,5-trimethoxybenzoate CAS Name: oxalic acid; 3,4,5-trimethoxybenzoic acid 3-(phenethylamino)propyl ester IUPAC Name: oxalic acid; 3-(phenethylamino)propyl 3,4,5-trimethoxybenzoate Traditional Name: oxalic acid; 3,4,5-trimethoxybenzoic acid 3-(phenethylamino)propyl ester Formula: C23H29NO9 MolecularWeight: 463.47766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCNCCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCNCCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27NO5.C2H2O4/c1-24-18-14-17(15-19(25-2)20(18)26-3)21(23)27-13-7-11-22-12-10-16-8-5-4-6-9-16;3-1(4)2(5)6/h4-6,8-9,14-15,22H,7,10-13H2,1-3H3;(H,3,4)(H,5,6)