[1-[3-(4-fluoranylphenoxy)propyl]piperidin-4-yl]methyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [1-[3-(4-fluoranylphenoxy)propyl]piperidin-4-yl]methyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [1-[3-(4-fluorophenoxy)propyl]-4-piperidyl]methyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [1-[3-(4-fluorophenoxy)propyl]-4-piperidinyl]methyl ester IUPAC Name: [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [1-[3-(4-fluorophenoxy)propyl]-4-piperidyl]methyl ester Formula: C23H28ClFN2O4 MolecularWeight: 450.930823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC2CCN(CC2)CCCOC3=CC=C(C=C3)F)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC2CCN(CC2)CCCOC3=CC=C(C=C3)F)Cl)N

InChI

InChI=1S/C23H28ClFN2O4/c1-29-22-14-21(26)20(24)13-19(22)23(28)31-15-16-7-10-27(11-8-16)9-2-12-30-18-5-3-17(25)4-6-18/h3-6,13-14,16H,2,7-12,15,26H2,1H3