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

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-(4-benzylpiperazin-1-yl)ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-(phenylmethyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-(4-benzylpiperazin-1-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-(4-benzylpiperazino)ethyl ester Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCN(CC2)CC3=CC=CC=C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCN(CC2)CC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C21H26ClN3O3/c1-27-20-14-19(23)18(22)13-17(20)21(26)28-12-11-24-7-9-25(10-8-24)15-16-5-3-2-4-6-16/h2-6,13-14H,7-12,15,23H2,1H3