methyl 2-[[4-[(2R)-3-(azocan-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-methyl-amino]ethanoate

Systemtic Name: methyl 2-[[4-[(2R)-3-(azocan-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-methyl-amino]ethanoate Openeye Name: methyl 2-[[4-[(2R)-3-(azocan-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-methyl-amino]acetate CAS Name: 2-[[4-[(2R)-3-(1-azocanyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(2R)-3-(azocan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-methylamino]acetate Traditional Name: 2-[[4-[(2R)-3-(azocan-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-methyl-amino]acetic acid methyl ester Formula: C22H36N2O5 MolecularWeight: 408.53164

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OCC(CN2CCCCCCC2)O)OC)CC(=O)OC

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC[C@@H](CN2CCCCCCC2)O)OC)CC(=O)OC

InChI

InChI=1S/C22H36N2O5/c1-23(16-22(26)28-3)14-18-9-10-20(21(13-18)27-2)29-17-19(25)15-24-11-7-5-4-6-8-12-24/h9-10,13,19,25H,4-8,11-12,14-17H2,1-3H3/t19-/m1/s1