[3,5-bis(trifluoromethyl)phenyl]methyl 2-azanyl-3-(1H-indol-3-yl)propanoate

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]methyl 2-azanyl-3-(1H-indol-3-yl)propanoate Openeye Name: [3,5-bis(trifluoromethyl)phenyl]methyl 2-amino-3-(1H-indol-3-yl)propanoate CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid [3,5-bis(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methyl 2-amino-3-(1H-indol-3-yl)propanoate Traditional Name: 2-amino-3-(1H-indol-3-yl)propionic acid [3,5-bis(trifluoromethyl)benzyl] ester Formula: C20H16F6N2O2 MolecularWeight: 430.343659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N

InChI

InChI=1S/C20H16F6N2O2/c21-19(22,23)13-5-11(6-14(8-13)20(24,25)26)10-30-18(29)16(27)7-12-9-28-17-4-2-1-3-15(12)17/h1-6,8-9,16,28H,7,10,27H2