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

Systemtic Name: 2-[4-(2-cyclohexylethanoylamino)piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[(2-cyclohexylacetyl)amino]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[(2-cyclohexyl-1-oxoethyl)amino]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[(2-cyclohexylacetyl)amino]piperidino]ethyl ester Formula: C23H34ClN3O4 MolecularWeight: 451.98676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)NC(=O)CC3CCCCC3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)NC(=O)CC3CCCCC3)Cl)N

InChI

InChI=1S/C23H34ClN3O4/c1-30-21-15-20(25)19(24)14-18(21)23(29)31-12-11-27-9-7-17(8-10-27)26-22(28)13-16-5-3-2-4-6-16/h14-17H,2-13,25H2,1H3,(H,26,28)