2-[4-(3-azanylpropyl)piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-(3-azanylpropyl)piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(3-aminopropyl)-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-(3-aminopropyl)-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-(3-aminopropyl)piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(3-aminopropyl)piperidino]ethyl ester Formula: C18H28ClN3O3 MolecularWeight: 369.88622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CCCN)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CCCN)Cl)N

InChI

InChI=1S/C18H28ClN3O3/c1-24-17-12-16(21)15(19)11-14(17)18(23)25-10-9-22-7-4-13(5-8-22)3-2-6-20/h11-13H,2-10,20-21H2,1H3