methyl 4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]amino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]amino]methyl]-2-methoxy-benzoate Openeye Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]amino]methyl]-2-methoxy-benzoate CAS Name: 4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2,5-diphenyl-4-imidazolyl)methyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-methoxybenzoate Traditional Name: 4-[[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl-piperonyl-amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C38H39N3O5 MolecularWeight: 617.73336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN(CC4=CC5=C(C=C4)OCO5)CC6=CC(=C(C=C6)C(=O)OC)OC

Isomeric SMILES

CCCCN1C(=C(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN(CC4=CC5=C(C=C4)OCO5)CC6=CC(=C(C=C6)C(=O)OC)OC

InChI

InChI=1S/C38H39N3O5/c1-4-5-20-41-32(36(29-12-8-6-9-13-29)39-37(41)30-14-10-7-11-15-30)25-40(24-28-17-19-33-35(22-28)46-26-45-33)23-27-16-18-31(38(42)44-3)34(21-27)43-2/h6-19,21-22H,4-5,20,23-26H2,1-3H3