methyl 4-[(2S)-3-[bis(phenylmethyl)amino]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[(2S)-3-[bis(phenylmethyl)amino]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[(2S)-3-(dibenzylamino)-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2S)-3-[bis(phenylmethyl)amino]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-3-(dibenzylamino)-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2S)-3-(dibenzylamino)-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO4/c1-29-25(28)22-12-14-24(15-13-22)30-19-23(27)18-26(16-20-8-4-2-5-9-20)17-21-10-6-3-7-11-21/h2-15,23,27H,16-19H2,1H3/t23-/m0/s1