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

Systemtic Name: 2-[4-(6-azanylhexanoylamino)piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(6-aminohexanoylamino)-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[(6-amino-1-oxohexyl)amino]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-(6-aminohexanoylamino)piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(6-aminohexanoylamino)piperidino]ethyl ester Formula: C21H33ClN4O4 MolecularWeight: 440.96412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33ClN4O4/c1-29-19-14-18(24)17(22)13-16(19)21(28)30-12-11-26-9-6-15(7-10-26)25-20(27)5-3-2-4-8-23/h13-15H,2-12,23-24H2,1H3,(H,25,27)