[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-fluorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-fluorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(4-fluorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propionic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C27H22F2N2O5 MolecularWeight: 492.470786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)F)F

InChI

InChI=1S/C27H22F2N2O5/c1-35-25-11-8-17(12-21(25)29)24(32)15-36-27(34)23(31-26(33)16-6-9-19(28)10-7-16)13-18-14-30-22-5-3-2-4-20(18)22/h2-12,14,23,30H,13,15H2,1H3,(H,31,33)/t23-/m0/s1