2-[4-(8-azanyloctanoyl)piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-(8-azanyloctanoyl)piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(8-aminooctanoyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-(8-amino-1-oxooctyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(8-aminooctanoyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(8-aminooctanoyl)piperazino]ethyl ester Formula: C22H35ClN4O4 MolecularWeight: 454.9907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35ClN4O4/c1-30-20-16-19(25)18(23)15-17(20)22(29)31-14-13-26-9-11-27(12-10-26)21(28)7-5-3-2-4-6-8-24/h15-16H,2-14,24-25H2,1H3