4-[1-[[3-[4-[(2-fluorophenyl)carbamoylamino]-3-methoxy-phenyl]-2-oxidanylidene-propyl]amino]ethoxy]-3-piperidin-1-yl-benzoic acid

Systemtic Name: 4-[1-[[3-[4-[(2-fluorophenyl)carbamoylamino]-3-methoxy-phenyl]-2-oxidanylidene-propyl]amino]ethoxy]-3-piperidin-1-yl-benzoic acid Openeye Name: 4-[1-[[3-[4-[(2-fluorophenyl)carbamoylamino]-3-methoxy-phenyl]-2-oxo-propyl]amino]ethoxy]-3-(1-piperidyl)benzoic acid CAS Name: 4-[1-[[3-[4-[[(2-fluoroanilino)-oxomethyl]amino]-3-methoxyphenyl]-2-oxopropyl]amino]ethoxy]-3-(1-piperidinyl)benzoic acid IUPAC Name: 4-[1-[[3-[4-[(2-fluorophenyl)carbamoylamino]-3-methoxyphenyl]-2-oxopropyl]amino]ethoxy]-3-piperidin-1-ylbenzoic acid Traditional Name: 4-[1-[[3-[4-[(2-fluorophenyl)carbamoylamino]-3-methoxy-phenyl]-2-keto-propyl]amino]ethoxy]-3-piperidino-benzoic acid Formula: C31H35FN4O6 MolecularWeight: 578.631203

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Descriptors Computed from Structure

Canonical SMILES:

CC(NCC(=O)CC1=CC(=C(C=C1)NC(=O)NC2=CC=CC=C2F)OC)OC3=C(C=C(C=C3)C(=O)O)N4CCCCC4

Isomeric SMILES

CC(NCC(=O)CC1=CC(=C(C=C1)NC(=O)NC2=CC=CC=C2F)OC)OC3=C(C=C(C=C3)C(=O)O)N4CCCCC4

InChI

InChI=1S/C31H35FN4O6/c1-20(42-28-13-11-22(30(38)39)18-27(28)36-14-6-3-7-15-36)33-19-23(37)16-21-10-12-26(29(17-21)41-2)35-31(40)34-25-9-5-4-8-24(25)32/h4-5,8-13,17-18,20,33H,3,6-7,14-16,19H2,1-2H3,(H,38,39)(H2,34,35,40)