4-[1-[3,4-bis(oxidanyl)phenyl]propan-2-yl-propyl-amino]butyl 3,4,5-trimethoxybenzoate

Systemtic Name: 4-[1-[3,4-bis(oxidanyl)phenyl]propan-2-yl-propyl-amino]butyl 3,4,5-trimethoxybenzoate Openeye Name: 4-[[2-(3,4-dihydroxyphenyl)-1-methyl-ethyl]-propyl-amino]butyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 4-[1-(3,4-dihydroxyphenyl)propan-2-yl-propylamino]butyl ester IUPAC Name: 4-[1-(3,4-dihydroxyphenyl)propan-2-yl-propylamino]butyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 4-[[2-(3,4-dihydroxyphenyl)-1-methyl-ethyl]-propyl-amino]butyl ester Formula: C26H37NO7 MolecularWeight: 475.57448

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C(C)CC2=CC(=C(C=C2)O)O

Isomeric SMILES

CCCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C(C)CC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C26H37NO7/c1-6-11-27(18(2)14-19-9-10-21(28)22(29)15-19)12-7-8-13-34-26(30)20-16-23(31-3)25(33-5)24(17-20)32-4/h9-10,15-18,28-29H,6-8,11-14H2,1-5H3