methyl 2-butoxy-5-[methyl-[2-[4-oxidanyl-1-(phenylmethyl)piperidin-4-yl]ethanoyl]amino]benzoate

Systemtic Name: methyl 2-butoxy-5-[methyl-[2-[4-oxidanyl-1-(phenylmethyl)piperidin-4-yl]ethanoyl]amino]benzoate Openeye Name: methyl 5-[[2-(1-benzyl-4-hydroxy-4-piperidyl)acetyl]-methyl-amino]-2-butoxy-benzoate CAS Name: 2-butoxy-5-[[2-[4-hydroxy-1-(phenylmethyl)-4-piperidinyl]-1-oxoethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 5-[[2-(1-benzyl-4-hydroxypiperidin-4-yl)acetyl]-methylamino]-2-butoxybenzoate Traditional Name: 5-[[2-(1-benzyl-4-hydroxy-4-piperidyl)acetyl]-methyl-amino]-2-butoxy-benzoic acid methyl ester Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)N(C)C(=O)CC2(CCN(CC2)CC3=CC=CC=C3)O)C(=O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)N(C)C(=O)CC2(CCN(CC2)CC3=CC=CC=C3)O)C(=O)OC

InChI

InChI=1S/C27H36N2O5/c1-4-5-17-34-24-12-11-22(18-23(24)26(31)33-3)28(2)25(30)19-27(32)13-15-29(16-14-27)20-21-9-7-6-8-10-21/h6-12,18,32H,4-5,13-17,19-20H2,1-3H3