(4-bromophenyl)methyl 2-[(4-fluorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (4-bromophenyl)methyl 2-[(4-fluorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: (4-bromophenyl)methyl 2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[(4-fluorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propionic acid (4-bromobenzyl) ester Formula: C25H20BrFN2O3 MolecularWeight: 495.340303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC3=CC=C(C=C3)Br)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC3=CC=C(C=C3)Br)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H20BrFN2O3/c26-19-9-5-16(6-10-19)15-32-25(31)23(29-24(30)17-7-11-20(27)12-8-17)13-18-14-28-22-4-2-1-3-21(18)22/h1-12,14,23,28H,13,15H2,(H,29,30)