3-phenylpropyl 4-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]anilino]-4-oxo-butanoate CAS Name: 4-[3-[(3-chloro-4-fluoroanilino)-oxomethyl]anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[3-[(3-chloro-4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoate Traditional Name: 4-[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]anilino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C26H24ClFN2O4 MolecularWeight: 482.931163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C26H24ClFN2O4/c27-22-17-21(11-12-23(22)28)30-26(33)19-9-4-10-20(16-19)29-24(31)13-14-25(32)34-15-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-12,16-17H,5,8,13-15H2,(H,29,31)(H,30,33)