(phenylmethyl) 1-[(4-tert-butylphenyl)methyl]-2-methyl-5-oxidanyl-benzo[g]indole-3-carboxylate

Systemtic Name: (phenylmethyl) 1-[(4-tert-butylphenyl)methyl]-2-methyl-5-oxidanyl-benzo[g]indole-3-carboxylate Openeye Name: benzyl 1-[(4-tert-butylphenyl)methyl]-5-hydroxy-2-methyl-benzo[g]indole-3-carboxylate CAS Name: 1-[(4-tert-butylphenyl)methyl]-5-hydroxy-2-methyl-3-benzo[g]indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[(4-tert-butylphenyl)methyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate Traditional Name: 1-(4-tert-butylbenzyl)-5-hydroxy-2-methyl-benz[g]indole-3-carboxylic acid benzyl ester Formula: C32H31NO3 MolecularWeight: 477.59344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4C(=C2)O)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4C(=C2)O)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C32H31NO3/c1-21-29(31(35)36-20-23-10-6-5-7-11-23)27-18-28(34)25-12-8-9-13-26(25)30(27)33(21)19-22-14-16-24(17-15-22)32(2,3)4/h5-18,34H,19-20H2,1-4H3