methyl 3,4,5-tris[(3S)-3-azanyl-4-phenyl-butoxy]benzoate

Systemtic Name: methyl 3,4,5-tris[(3S)-3-azanyl-4-phenyl-butoxy]benzoate Openeye Name: methyl 3,4,5-tris[(3S)-3-amino-4-phenyl-butoxy]benzoate CAS Name: 3,4,5-tris[(3S)-3-amino-4-phenylbutoxy]benzoic acid methyl ester IUPAC Name: methyl 3,4,5-tris[(3S)-3-amino-4-phenylbutoxy]benzoate Traditional Name: 3,4,5-tris[(3S)-3-amino-4-phenyl-butoxy]benzoic acid methyl ester Formula: C38H47N3O5 MolecularWeight: 625.79688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)OCCC(CC2=CC=CC=C2)N)OCCC(CC3=CC=CC=C3)N)OCCC(CC4=CC=CC=C4)N

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)OCC[C@H](CC2=CC=CC=C2)N)OCC[C@H](CC3=CC=CC=C3)N)OCC[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C38H47N3O5/c1-43-38(42)31-26-35(44-20-17-32(39)23-28-11-5-2-6-12-28)37(46-22-19-34(41)25-30-15-9-4-10-16-30)36(27-31)45-21-18-33(40)24-29-13-7-3-8-14-29/h2-16,26-27,32-34H,17-25,39-41H2,1H3/t32-,33-,34-/m1/s1