(phenylmethyl) 1-[2-(4-tert-butylphenoxy)ethyl]-2-methyl-5-oxidanyl-indole-3-carboxylate

Systemtic Name: (phenylmethyl) 1-[2-(4-tert-butylphenoxy)ethyl]-2-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: benzyl 1-[2-(4-tert-butylphenoxy)ethyl]-5-hydroxy-2-methyl-indole-3-carboxylate CAS Name: 1-[2-(4-tert-butylphenoxy)ethyl]-5-hydroxy-2-methyl-3-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-(4-tert-butylphenoxy)ethyl]-5-hydroxy-2-methylindole-3-carboxylate Traditional Name: 1-[2-(4-tert-butylphenoxy)ethyl]-5-hydroxy-2-methyl-indole-3-carboxylic acid benzyl ester Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CCOC3=CC=C(C=C3)C(C)(C)C)C=CC(=C2)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N1CCOC3=CC=C(C=C3)C(C)(C)C)C=CC(=C2)O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H31NO4/c1-20-27(28(32)34-19-21-8-6-5-7-9-21)25-18-23(31)12-15-26(25)30(20)16-17-33-24-13-10-22(11-14-24)29(2,3)4/h5-15,18,31H,16-17,19H2,1-4H3