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

Systemtic Name: 2-[4-(2-azanylethanoyl)piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(2-aminoacetyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-(2-amino-1-oxoethyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(2-aminoacetyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-(4-glycylpiperazino)ethyl ester Formula: C16H23ClN4O4 MolecularWeight: 370.83122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN4O4/c1-24-14-9-13(19)12(17)8-11(14)16(23)25-7-6-20-2-4-21(5-3-20)15(22)10-18/h8-9H,2-7,10,18-19H2,1H3