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

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(3-chlorophenyl)piperazino]ethyl ester Formula: C20H23Cl2N3O3 MolecularWeight: 424.32092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCN(CC2)C3=CC(=CC=C3)Cl)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCN(CC2)C3=CC(=CC=C3)Cl)Cl)N

InChI

InChI=1S/C20H23Cl2N3O3/c1-27-19-13-18(23)17(22)12-16(19)20(26)28-10-9-24-5-7-25(8-6-24)15-4-2-3-14(21)11-15/h2-4,11-13H,5-10,23H2,1H3