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

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-(3-methoxyphenyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(3-methoxyphenyl)piperazino]ethyl ester Formula: C21H26ClN3O4 MolecularWeight: 419.90184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)CCOC(=O)C3=CC(=C(C=C3OC)N)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)CCOC(=O)C3=CC(=C(C=C3OC)N)Cl

InChI

InChI=1S/C21H26ClN3O4/c1-27-16-5-3-4-15(12-16)25-8-6-24(7-9-25)10-11-29-21(26)17-13-18(22)19(23)14-20(17)28-2/h3-5,12-14H,6-11,23H2,1-2H3