[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)methoxy]benzoate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)methoxy]benzoate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 2-[(3-bromophenyl)methoxy]benzoate CAS Name: 2-[(3-bromophenyl)methoxy]benzoic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 2-[(3-bromophenyl)methoxy]benzoate Traditional Name: 2-(3-bromobenzyl)oxybenzoic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C27H21BrN2O4 MolecularWeight: 517.37064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)COC(=O)C3=CC=CC=C3OCC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)COC(=O)C3=CC=CC=C3OCC4=CC(=CC=C4)Br

InChI

InChI=1S/C27H21BrN2O4/c28-20-8-5-7-19(15-20)17-33-26-12-4-2-10-22(26)27(32)34-18-25(31)23-16-30(14-6-13-29)24-11-3-1-9-21(23)24/h1-5,7-12,15-16H,6,14,17-18H2