[4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2-phenyl-imidazol-4-yl)methyl]amino]methyl]phenyl] ethanoate

Systemtic Name: [4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2-phenyl-imidazol-4-yl)methyl]amino]methyl]phenyl] ethanoate Openeye Name: [4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2-phenyl-imidazol-4-yl)methyl]amino]methyl]phenyl] acetate CAS Name: acetic acid [4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2-phenyl-4-imidazolyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]phenyl] acetate Traditional Name: acetic acid [4-[[(3-butyl-2-phenyl-imidazol-4-yl)methyl-piperonyl-amino]methyl]phenyl] ester Formula: C31H33N3O4 MolecularWeight: 511.61142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1C2=CC=CC=C2)CN(CC3=CC=C(C=C3)OC(=O)C)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCN1C(=CN=C1C2=CC=CC=C2)CN(CC3=CC=C(C=C3)OC(=O)C)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C31H33N3O4/c1-3-4-16-34-27(18-32-31(34)26-8-6-5-7-9-26)21-33(19-24-10-13-28(14-11-24)38-23(2)35)20-25-12-15-29-30(17-25)37-22-36-29/h5-15,17-18H,3-4,16,19-22H2,1-2H3