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

Systemtic Name: 2-[4-[[2-(4-bromophenyl)ethanoylamino]methyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[[[2-(4-bromophenyl)acetyl]amino]methyl]-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]methyl]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[[[2-(4-bromophenyl)acetyl]amino]methyl]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]methyl]piperidino]ethyl ester Formula: C24H29BrClN3O4 MolecularWeight: 538.86176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29BrClN3O4/c1-32-22-14-21(27)20(26)13-19(22)24(31)33-11-10-29-8-6-17(7-9-29)15-28-23(30)12-16-2-4-18(25)5-3-16/h2-5,13-14,17H,6-12,15,27H2,1H3,(H,28,30)