propan-2-yl 4-[2-[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]amino]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]amino]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]amino]acetyl]amino]benzoate CAS Name: 4-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[ethyl-(3-fluoro-4-methoxy-benzyl)amino]acetyl]amino]benzoic acid isopropyl ester Formula: C22H27FN2O4 MolecularWeight: 402.459183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)CC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)CC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

InChI

InChI=1S/C22H27FN2O4/c1-5-25(13-16-6-11-20(28-4)19(23)12-16)14-21(26)24-18-9-7-17(8-10-18)22(27)29-15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,24,26)