3-[2,3-bis(2-azanylpropan-2-yl)phenyl]propyl 4-butoxybenzoate

Systemtic Name: 3-[2,3-bis(2-azanylpropan-2-yl)phenyl]propyl 4-butoxybenzoate Openeye Name: 3-[2,3-bis(1-amino-1-methyl-ethyl)phenyl]propyl 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid 3-[2,3-bis(2-aminopropan-2-yl)phenyl]propyl ester IUPAC Name: 3-[2,3-bis(2-aminopropan-2-yl)phenyl]propyl 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid 3-[2,3-bis(1-amino-1-methyl-ethyl)phenyl]propyl ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCCCC2=C(C(=CC=C2)C(C)(C)N)C(C)(C)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCCCC2=C(C(=CC=C2)C(C)(C)N)C(C)(C)N

InChI

InChI=1S/C26H38N2O3/c1-6-7-17-30-21-15-13-20(14-16-21)24(29)31-18-9-11-19-10-8-12-22(25(2,3)27)23(19)26(4,5)28/h8,10,12-16H,6-7,9,11,17-18,27-28H2,1-5H3