ethyl 3-[[1-(hydroxymethyl)-1,4a-dimethyl-5-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-6-oxidanyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl]oxycarbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-(hydroxymethyl)-1,4a-dimethyl-5-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-6-oxidanyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl]oxycarbonylamino]benzoate Openeye Name: ethyl 3-[[6-hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]decalin-2-yl]oxycarbonylamino]benzoate CAS Name: 3-[[[6-hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl]oxy-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl]oxycarbonylamino]benzoate Traditional Name: 3-[[6-hydroxy-5-[2-keto-2-(4-methylpiperidino)ethyl]-1,4a-dimethyl-1-methylol-decalin-2-yl]oxycarbonylamino]benzoic acid ethyl ester Formula: C31H46N2O7 MolecularWeight: 558.70614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)OC2CCC3(C(C2(C)CO)CCC(C3CC(=O)N4CCC(CC4)C)O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)OC2CCC3(C(C2(C)CO)CCC(C3CC(=O)N4CCC(CC4)C)O)C

InChI

InChI=1S/C31H46N2O7/c1-5-39-28(37)21-7-6-8-22(17-21)32-29(38)40-26-11-14-30(3)23(18-27(36)33-15-12-20(2)13-16-33)24(35)9-10-25(30)31(26,4)19-34/h6-8,17,20,23-26,34-35H,5,9-16,18-19H2,1-4H3,(H,32,38)