[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(quinolin-8-ylamino)butanoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(quinolin-8-ylamino)butanoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 4-oxo-4-(8-quinolylamino)butanoate CAS Name: 4-oxo-4-(8-quinolinylamino)butanoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 4-oxo-4-(quinolin-8-ylamino)butanoate Traditional Name: 4-keto-4-(8-quinolylamino)butyric acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)CCC(=O)NC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)CCC(=O)NC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C27H28N2O4/c30-24(21-13-11-20(12-14-21)19-6-2-1-3-7-19)18-33-26(32)16-15-25(31)29-23-10-4-8-22-9-5-17-28-27(22)23/h4-5,8-14,17,19H,1-3,6-7,15-16,18H2,(H,29,31)