3-phenylpropyl 4-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-4-oxo-butanoate CAS Name: 4-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-4-oxobutanoate Traditional Name: 4-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C28H29ClN2O5 MolecularWeight: 508.99326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)CCC(=O)OCCCC2=CC=CC=C2)OC3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)CCC(=O)OCCCC2=CC=CC=C2)OC3=CC=CC=C3Cl

InChI

InChI=1S/C28H29ClN2O5/c1-20(36-25-12-6-5-11-24(25)29)28(34)31-23-15-13-22(14-16-23)30-26(32)17-18-27(33)35-19-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-16,20H,7,10,17-19H2,1H3,(H,30,32)(H,31,34)