methyl 2-[4-[4-(cyclohexylcarbonylamino)phenyl]piperazin-1-yl]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[4-[4-(cyclohexylcarbonylamino)phenyl]piperazin-1-yl]-2-phenyl-ethanoate Openeye Name: methyl 2-[4-[4-(cyclohexanecarbonylamino)phenyl]piperazin-1-yl]-2-phenyl-acetate CAS Name: 2-[4-[4-[[cyclohexyl(oxo)methyl]amino]phenyl]-1-piperazinyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(cyclohexanecarbonylamino)phenyl]piperazin-1-yl]-2-phenylacetate Traditional Name: 2-[4-[4-(cyclohexanecarbonylamino)phenyl]piperazino]-2-phenyl-acetic acid methyl ester Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4CCCCC4

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C26H33N3O3/c1-32-26(31)24(20-8-4-2-5-9-20)29-18-16-28(17-19-29)23-14-12-22(13-15-23)27-25(30)21-10-6-3-7-11-21/h2,4-5,8-9,12-15,21,24H,3,6-7,10-11,16-19H2,1H3,(H,27,30)