4-[2-[(4-butoxyphenyl)-methyl-amino]ethyl]-1-[(4-isocyanophenyl)methyl]piperidin-4-ol

Systemtic Name: 4-[2-[(4-butoxyphenyl)-methyl-amino]ethyl]-1-[(4-isocyanophenyl)methyl]piperidin-4-ol Openeye Name: 4-[2-(4-butoxy-N-methyl-anilino)ethyl]-1-[(4-isocyanophenyl)methyl]piperidin-4-ol CAS Name: 4-[2-(4-butoxy-N-methylanilino)ethyl]-1-[(4-isocyanophenyl)methyl]-4-piperidinol IUPAC Name: 4-[2-(4-butoxy-N-methylanilino)ethyl]-1-[(4-isocyanophenyl)methyl]piperidin-4-ol Traditional Name: 4-[2-(4-butoxy-N-methyl-anilino)ethyl]-1-(4-isocyanobenzyl)piperidin-4-ol Formula: C26H35N3O2 MolecularWeight: 421.575

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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)[N+]#[C-])O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N(C)CCC2(CCN(CC2)CC3=CC=C(C=C3)[N+]#[C-])O

InChI

InChI=1S/C26H35N3O2/c1-4-5-20-31-25-12-10-24(11-13-25)28(3)17-14-26(30)15-18-29(19-16-26)21-22-6-8-23(27-2)9-7-22/h6-13,30H,4-5,14-21H2,1,3H3