methyl 4-azanyl-3-chloranyl-2-[3-(4-fluoranylphenoxy)propyl]-6-methoxy-5-piperidin-4-yl-benzoate

Systemtic Name: methyl 4-azanyl-3-chloranyl-2-[3-(4-fluoranylphenoxy)propyl]-6-methoxy-5-piperidin-4-yl-benzoate Openeye Name: methyl 4-amino-3-chloro-2-[3-(4-fluorophenoxy)propyl]-6-methoxy-5-(4-piperidyl)benzoate CAS Name: 4-amino-3-chloro-2-[3-(4-fluorophenoxy)propyl]-6-methoxy-5-(4-piperidinyl)benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-chloro-2-[3-(4-fluorophenoxy)propyl]-6-methoxy-5-piperidin-4-ylbenzoate Traditional Name: 4-amino-3-chloro-2-[3-(4-fluorophenoxy)propyl]-6-methoxy-5-(4-piperidyl)benzoic acid methyl ester Formula: C23H28ClFN2O4 MolecularWeight: 450.930823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1C(=O)OC)CCCOC2=CC=C(C=C2)F)Cl)N)C3CCNCC3

Isomeric SMILES

COC1=C(C(=C(C(=C1C(=O)OC)CCCOC2=CC=C(C=C2)F)Cl)N)C3CCNCC3

InChI

InChI=1S/C23H28ClFN2O4/c1-29-22-18(14-9-11-27-12-10-14)21(26)20(24)17(19(22)23(28)30-2)4-3-13-31-16-7-5-15(25)6-8-16/h5-8,14,27H,3-4,9-13,26H2,1-2H3