2-[4-(11-azanylundecanoyl)piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-(11-azanylundecanoyl)piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(11-aminoundecanoyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-(11-amino-1-oxoundecyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(11-aminoundecanoyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(11-aminoundecanoyl)piperazino]ethyl ester Formula: C25H41ClN4O4 MolecularWeight: 497.07044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41ClN4O4/c1-33-23-19-22(28)21(26)18-20(23)25(32)34-17-16-29-12-14-30(15-13-29)24(31)10-8-6-4-2-3-5-7-9-11-27/h18-19H,2-17,27-28H2,1H3