methyl 4-[[4-[2-[(4-butoxyphenyl)-methyl-amino]ethyl]-4-oxidanyl-piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[2-[(4-butoxyphenyl)-methyl-amino]ethyl]-4-oxidanyl-piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[2-(4-butoxy-N-methyl-anilino)ethyl]-4-hydroxy-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[2-(4-butoxy-N-methylanilino)ethyl]-4-hydroxy-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[2-(4-butoxy-N-methylanilino)ethyl]-4-hydroxypiperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[2-(4-butoxy-N-methyl-anilino)ethyl]-4-hydroxy-piperidino]methyl]benzoic acid methyl ester Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N(C)CCC2(CCN(CC2)CC3=CC=C(C=C3)C(=O)OC)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N(C)CCC2(CCN(CC2)CC3=CC=C(C=C3)C(=O)OC)O

InChI

InChI=1S/C27H38N2O4/c1-4-5-20-33-25-12-10-24(11-13-25)28(2)17-14-27(31)15-18-29(19-16-27)21-22-6-8-23(9-7-22)26(30)32-3/h6-13,31H,4-5,14-21H2,1-3H3