ethyl 4-[2-[(2-fluorophenyl)carbamoyl-(4-phenoxyphenyl)amino]ethylcarbamoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(2-fluorophenyl)carbamoyl-(4-phenoxyphenyl)amino]ethylcarbamoylamino]benzoate Openeye Name: ethyl 4-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxy-anilino]ethylcarbamoylamino]benzoate CAS Name: 4-[[[2-(N-[(2-fluoroanilino)-oxomethyl]-4-phenoxyanilino)ethylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethylcarbamoylamino]benzoate Traditional Name: 4-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxy-anilino]ethylcarbamoylamino]benzoic acid ethyl ester Formula: C31H29FN4O5 MolecularWeight: 556.584163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCCN(C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)NC4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCCN(C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C31H29FN4O5/c1-2-40-29(37)22-12-14-23(15-13-22)34-30(38)33-20-21-36(31(39)35-28-11-7-6-10-27(28)32)24-16-18-26(19-17-24)41-25-8-4-3-5-9-25/h3-19H,2,20-21H2,1H3,(H,35,39)(H2,33,34,38)