[6-[ethyl(phenethyl)amino]-2-methyl-hexan-3-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [6-[ethyl(phenethyl)amino]-2-methyl-hexan-3-yl] 3,4,5-trimethoxybenzoate Openeye Name: [4-[ethyl(phenethyl)amino]-1-isopropyl-butyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [6-[ethyl(phenethyl)amino]-2-methylhexan-3-yl] ester IUPAC Name: [6-[ethyl(phenethyl)amino]-2-methylhexan-3-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-[ethyl(phenethyl)amino]-1-isopropyl-butyl] ester Formula: C27H39NO5 MolecularWeight: 457.60226

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCC(C(C)C)OC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCC2=CC=CC=C2

Isomeric SMILES

CCN(CCCC(C(C)C)OC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCC2=CC=CC=C2

InChI

InChI=1S/C27H39NO5/c1-7-28(17-15-21-12-9-8-10-13-21)16-11-14-23(20(2)3)33-27(29)22-18-24(30-4)26(32-6)25(19-22)31-5/h8-10,12-13,18-20,23H,7,11,14-17H2,1-6H3