2-[4-(6-azanylhexanoyl)piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-(6-azanylhexanoyl)piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(6-aminohexanoyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-(6-amino-1-oxohexyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(6-aminohexanoyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(6-aminohexanoyl)piperazino]ethyl ester Formula: C20H31ClN4O4 MolecularWeight: 426.93754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCN(CC2)C(=O)CCCCCN)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCN(CC2)C(=O)CCCCCN)Cl)N

InChI

InChI=1S/C20H31ClN4O4/c1-28-18-14-17(23)16(21)13-15(18)20(27)29-12-11-24-7-9-25(10-8-24)19(26)5-3-2-4-6-22/h13-14H,2-12,22-23H2,1H3