tert-butyl 2-azanyl-3-[[2-(2-fluorophenyl)carbonylphenyl]amino]-2-(1H-indol-3-ylmethyl)-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 2-azanyl-3-[[2-(2-fluorophenyl)carbonylphenyl]amino]-2-(1H-indol-3-ylmethyl)-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-amino-3-[2-(2-fluorobenzoyl)anilino]-2-(1H-indol-3-ylmethyl)-3-oxo-propanoate CAS Name: 2-amino-3-[2-[(2-fluorophenyl)-oxomethyl]anilino]-2-(1H-indol-3-ylmethyl)-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-3-[2-(2-fluorobenzoyl)anilino]-2-(1H-indol-3-ylmethyl)-3-oxopropanoate Traditional Name: 2-amino-3-[2-(2-fluorobenzoyl)anilino]-2-(1H-indol-3-ylmethyl)-3-keto-propionic acid tert-butyl ester Formula: C29H28FN3O4 MolecularWeight: 501.548723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CNC2=CC=CC=C21)(C(=O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4F)N

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CNC2=CC=CC=C21)(C(=O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4F)N

InChI

InChI=1S/C29H28FN3O4/c1-28(2,3)37-27(36)29(31,16-18-17-32-23-14-8-5-10-19(18)23)26(35)33-24-15-9-6-12-21(24)25(34)20-11-4-7-13-22(20)30/h4-15,17,32H,16,31H2,1-3H3,(H,33,35)