ethyl 2-methyl-5-oxidanyl-1-(4-phenylbutyl)indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-oxidanyl-1-(4-phenylbutyl)indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-1-(4-phenylbutyl)indole-3-carboxylate CAS Name: 5-hydroxy-2-methyl-1-(4-phenylbutyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-1-(4-phenylbutyl)indole-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-1-(4-phenylbutyl)indole-3-carboxylic acid ethyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CCCCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CCCCC3=CC=CC=C3)C

InChI

InChI=1S/C22H25NO3/c1-3-26-22(25)21-16(2)23(20-13-12-18(24)15-19(20)21)14-8-7-11-17-9-5-4-6-10-17/h4-6,9-10,12-13,15,24H,3,7-8,11,14H2,1-2H3