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

Systemtic Name: 2-[4-(4-azanylbutyl)piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(4-aminobutyl)-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-(4-aminobutyl)-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-(4-aminobutyl)piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(4-aminobutyl)piperidino]ethyl ester Formula: C19H30ClN3O3 MolecularWeight: 383.9128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30ClN3O3/c1-25-18-13-17(22)16(20)12-15(18)19(24)26-11-10-23-8-5-14(6-9-23)4-2-3-7-21/h12-14H,2-11,21-22H2,1H3