2-[4-[2-(4-bromophenyl)ethanoylamino]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-[2-(4-bromophenyl)ethanoylamino]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[[2-(4-bromophenyl)acetyl]amino]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[[2-(4-bromophenyl)-1-oxoethyl]amino]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[[2-(4-bromophenyl)acetyl]amino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[[2-(4-bromophenyl)acetyl]amino]piperidino]ethyl ester Formula: C23H27BrClN3O4 MolecularWeight: 524.83518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)NC(=O)CC3=CC=C(C=C3)Br)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)NC(=O)CC3=CC=C(C=C3)Br)Cl)N

InChI

InChI=1S/C23H27BrClN3O4/c1-31-21-14-20(26)19(25)13-18(21)23(30)32-11-10-28-8-6-17(7-9-28)27-22(29)12-15-2-4-16(24)5-3-15/h2-5,13-14,17H,6-12,26H2,1H3,(H,27,29)