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

Systemtic Name: (phenylmethyl) 1-[2-(4-ethylphenoxy)ethyl]-2-methyl-5-oxidanyl-benzo[g]indole-3-carboxylate Openeye Name: benzyl 1-[2-(4-ethylphenoxy)ethyl]-5-hydroxy-2-methyl-benzo[g]indole-3-carboxylate CAS Name: 1-[2-(4-ethylphenoxy)ethyl]-5-hydroxy-2-methyl-3-benzo[g]indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-(4-ethylphenoxy)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate Traditional Name: 1-[2-(4-ethylphenoxy)ethyl]-5-hydroxy-2-methyl-benz[g]indole-3-carboxylic acid benzyl ester Formula: C31H29NO4 MolecularWeight: 479.56626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCN2C(=C(C3=C2C4=CC=CC=C4C(=C3)O)C(=O)OCC5=CC=CC=C5)C

Isomeric SMILES

CCC1=CC=C(C=C1)OCCN2C(=C(C3=C2C4=CC=CC=C4C(=C3)O)C(=O)OCC5=CC=CC=C5)C

InChI

InChI=1S/C31H29NO4/c1-3-22-13-15-24(16-14-22)35-18-17-32-21(2)29(31(34)36-20-23-9-5-4-6-10-23)27-19-28(33)25-11-7-8-12-26(25)30(27)32/h4-16,19,33H,3,17-18,20H2,1-2H3