methyl (2R)-2-azanyl-3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoate dihydrochloride

Systemtic Name: methyl (2R)-2-azanyl-3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoate dihydrochloride Openeye Name: methyl (2R)-2-amino-3-[4-[[1-(4-pyridyl)-4-piperidyl]methoxy]phenyl]propanoate dihydrochloride CAS Name: (2R)-2-amino-3-[4-[(1-pyridin-4-yl-4-piperidinyl)methoxy]phenyl]propanoic acid methyl ester dihydrochloride IUPAC Name: methyl (2R)-2-amino-3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoate dihydrochloride Traditional Name: (2R)-2-amino-3-[4-[[1-(4-pyridyl)-4-piperidyl]methoxy]phenyl]propionic acid methyl ester dihydrochloride Formula: C21H29Cl2N3O3 MolecularWeight: 442.37926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCC2CCN(CC2)C3=CC=NC=C3)N.Cl.Cl

Isomeric SMILES

COC(=O)[C@@H](CC1=CC=C(C=C1)OCC2CCN(CC2)C3=CC=NC=C3)N.Cl.Cl

InChI

InChI=1S/C21H27N3O3.2ClH/c1-26-21(25)20(22)14-16-2-4-19(5-3-16)27-15-17-8-12-24(13-9-17)18-6-10-23-11-7-18;;/h2-7,10-11,17,20H,8-9,12-15,22H2,1H3;2*1H/t20-;;/m1../s1