2-[4-(3-azanylpropanoyl)piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-(3-azanylpropanoyl)piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(3-aminopropanoyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-(3-amino-1-oxopropyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(3-aminopropanoyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(3-aminopropanoyl)piperazino]ethyl ester Formula: C17H25ClN4O4 MolecularWeight: 384.8578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN4O4/c1-25-15-11-14(20)13(18)10-12(15)17(24)26-9-8-21-4-6-22(7-5-21)16(23)2-3-19/h10-11H,2-9,19-20H2,1H3