[2-[2-[(4-cyanophenyl)carbamoylamino]cyclopropyl]-6-ethanoyl-3-fluoranyl-phenyl] 3-azanylbenzoate

Systemtic Name: [2-[2-[(4-cyanophenyl)carbamoylamino]cyclopropyl]-6-ethanoyl-3-fluoranyl-phenyl] 3-azanylbenzoate Openeye Name: [6-acetyl-2-[2-[(4-cyanophenyl)carbamoylamino]cyclopropyl]-3-fluoro-phenyl] 3-aminobenzoate CAS Name: 3-aminobenzoic acid [6-acetyl-2-[2-[[(4-cyanoanilino)-oxomethyl]amino]cyclopropyl]-3-fluorophenyl] ester IUPAC Name: [6-acetyl-2-[2-[(4-cyanophenyl)carbamoylamino]cyclopropyl]-3-fluorophenyl] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid [6-acetyl-2-[2-[(4-cyanophenyl)carbamoylamino]cyclopropyl]-3-fluoro-phenyl] ester Formula: C26H21FN4O4 MolecularWeight: 472.467743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=CC=C(C=C3)C#N)OC(=O)C4=CC(=CC=C4)N

Isomeric SMILES

CC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=CC=C(C=C3)C#N)OC(=O)C4=CC(=CC=C4)N

InChI

InChI=1S/C26H21FN4O4/c1-14(32)19-9-10-21(27)23(24(19)35-25(33)16-3-2-4-17(29)11-16)20-12-22(20)31-26(34)30-18-7-5-15(13-28)6-8-18/h2-11,20,22H,12,29H2,1H3,(H2,30,31,34)