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

Systemtic Name: 2-[4-[[2-(4-nitrophenyl)ethanoylamino]methyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[[[2-(4-nitrophenyl)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-nitrophenyl)-1-oxoethyl]amino]methyl]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[[[2-(4-nitrophenyl)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-nitrophenyl)acetyl]amino]methyl]piperidino]ethyl ester Formula: C24H29ClN4O6 MolecularWeight: 504.96326

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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)[N+](=O)[O-])Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])Cl)N

InChI

InChI=1S/C24H29ClN4O6/c1-34-22-14-21(26)20(25)13-19(22)24(31)35-11-10-28-8-6-17(7-9-28)15-27-23(30)12-16-2-4-18(5-3-16)29(32)33/h2-5,13-14,17H,6-12,15,26H2,1H3,(H,27,30)