methyl 4-[3-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-3-oxidanylidene-propanoyl]benzoate

Systemtic Name: methyl 4-[3-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-3-oxidanylidene-propanoyl]benzoate Openeye Name: methyl 4-[3-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-3-oxo-propanoyl]benzoate CAS Name: 4-[3-[4-(4-cyclohexyl-1-piperazinyl)phenyl]-1,3-dioxopropyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-3-oxopropanoyl]benzoate Traditional Name: 4-[3-[4-(4-cyclohexylpiperazino)phenyl]-3-keto-propanoyl]benzoic acid methyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C27H32N2O4/c1-33-27(32)22-9-7-20(8-10-22)25(30)19-26(31)21-11-13-24(14-12-21)29-17-15-28(16-18-29)23-5-3-2-4-6-23/h7-14,23H,2-6,15-19H2,1H3