ethyl 6-bromanyl-2-methyl-1-(phenylmethyl)-5-prop-2-enoxy-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-methyl-1-(phenylmethyl)-5-prop-2-enoxy-indole-3-carboxylate Openeye Name: ethyl 5-allyloxy-1-benzyl-6-bromo-2-methyl-indole-3-carboxylate CAS Name: 6-bromo-2-methyl-1-(phenylmethyl)-5-prop-2-enoxy-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-bromo-2-methyl-5-prop-2-enoxyindole-3-carboxylate Traditional Name: 5-allyloxy-1-benzyl-6-bromo-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C22H22BrNO3 MolecularWeight: 428.31898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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