ethyl 6-bromanyl-2-methyl-5-oxidanyl-1-(phenylmethyl)-4-prop-2-enyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-methyl-5-oxidanyl-1-(phenylmethyl)-4-prop-2-enyl-indole-3-carboxylate Openeye Name: ethyl 4-allyl-1-benzyl-6-bromo-5-hydroxy-2-methyl-indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-methyl-1-(phenylmethyl)-4-prop-2-enyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-4-prop-2-enylindole-3-carboxylate Traditional Name: 4-allyl-1-benzyl-6-bromo-5-hydroxy-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C22H22BrNO3 MolecularWeight: 428.31898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CC=C)O)Br)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CC=C)O)Br)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H22BrNO3/c1-4-9-16-20-18(12-17(23)21(16)25)24(13-15-10-7-6-8-11-15)14(3)19(20)22(26)27-5-2/h4,6-8,10-12,25H,1,5,9,13H2,2-3H3