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

Systemtic Name: 2-[4-(5-azanylpentanoyl)piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(5-aminopentanoyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-(5-amino-1-oxopentyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(5-aminopentanoyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(5-aminopentanoyl)piperazino]ethyl ester Formula: C19H29ClN4O4 MolecularWeight: 412.91096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClN4O4/c1-27-17-13-16(22)15(20)12-14(17)19(26)28-11-10-23-6-8-24(9-7-23)18(25)4-2-3-5-21/h12-13H,2-11,21-22H2,1H3