methyl 3,5-bis[(2S)-2-azanyl-3-phenyl-propoxy]benzoate

Systemtic Name: methyl 3,5-bis[(2S)-2-azanyl-3-phenyl-propoxy]benzoate Openeye Name: methyl 3,5-bis[(2S)-2-amino-3-phenyl-propoxy]benzoate CAS Name: 3,5-bis[(2S)-2-amino-3-phenylpropoxy]benzoic acid methyl ester IUPAC Name: methyl 3,5-bis[(2S)-2-amino-3-phenylpropoxy]benzoate Traditional Name: 3,5-bis[(2S)-2-amino-3-phenyl-propoxy]benzoic acid methyl ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)OCC(CC2=CC=CC=C2)N)OCC(CC3=CC=CC=C3)N

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4/c1-30-26(29)21-14-24(31-17-22(27)12-19-8-4-2-5-9-19)16-25(15-21)32-18-23(28)13-20-10-6-3-7-11-20/h2-11,14-16,22-23H,12-13,17-18,27-28H2,1H3/t22-,23-/m0/s1