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

Systemtic Name: 2-[4-(4-azanylbutanoyl)piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(4-aminobutanoyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-(4-amino-1-oxobutyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(4-aminobutanoyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(4-aminobutanoyl)piperazino]ethyl ester Formula: C18H27ClN4O4 MolecularWeight: 398.88438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN4O4/c1-26-16-12-15(21)14(19)11-13(16)18(25)27-10-9-22-5-7-23(8-6-22)17(24)3-2-4-20/h11-12H,2-10,20-21H2,1H3