3-phenylpropyl 5-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]anilino]-5-oxo-pentanoate CAS Name: 5-[3-[(3-chloro-4-fluoroanilino)-oxomethyl]anilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[3-[(3-chloro-4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoate Traditional Name: 5-[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]anilino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C27H26ClFN2O4 MolecularWeight: 496.957743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClFN2O4/c28-23-18-22(14-15-24(23)29)31-27(34)20-10-4-11-21(17-20)30-25(32)12-5-13-26(33)35-16-6-9-19-7-2-1-3-8-19/h1-4,7-8,10-11,14-15,17-18H,5-6,9,12-13,16H2,(H,30,32)(H,31,34)