(phenylmethyl) 2-[1-(4-butoxyphenyl)carbonyl-2-methyl-5-phenylmethoxy-indol-3-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[1-(4-butoxyphenyl)carbonyl-2-methyl-5-phenylmethoxy-indol-3-yl]ethanoate Openeye Name: benzyl 2-[5-benzyloxy-1-(4-butoxybenzoyl)-2-methyl-indol-3-yl]acetate CAS Name: 2-[1-[(4-butoxyphenyl)-oxomethyl]-2-methyl-5-phenylmethoxy-3-indolyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-(4-butoxybenzoyl)-2-methyl-5-phenylmethoxyindol-3-yl]acetate Traditional Name: 2-[5-benzoxy-1-(4-butoxybenzoyl)-2-methyl-indol-3-yl]acetic acid benzyl ester Formula: C36H35NO5 MolecularWeight: 561.6668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(=C(C3=C2C=CC(=C3)OCC4=CC=CC=C4)CC(=O)OCC5=CC=CC=C5)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=C(C3=C2C=CC(=C3)OCC4=CC=CC=C4)CC(=O)OCC5=CC=CC=C5)C

InChI

InChI=1S/C36H35NO5/c1-3-4-21-40-30-17-15-29(16-18-30)36(39)37-26(2)32(23-35(38)42-25-28-13-9-6-10-14-28)33-22-31(19-20-34(33)37)41-24-27-11-7-5-8-12-27/h5-20,22H,3-4,21,23-25H2,1-2H3