ethylbenzene; 2-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]ethyl ethanoate

Systemtic Name: ethylbenzene; 2-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]ethyl ethanoate Openeye Name: ethylbenzene; 2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl acetate CAS Name: acetic acid 2-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]ethyl ester; ethylbenzene IUPAC Name: ethylbenzene; 2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl acetate Traditional Name: acetic acid 2-[4-(3,4,5-trimethoxybenzoyl)piperazino]ethyl ester; ethylbenzene Formula: C26H36N2O6 MolecularWeight: 472.57384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1.CC(=O)OCCN1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCC1=CC=CC=C1.CC(=O)OCCN1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C18H26N2O6.C8H10/c1-13(21)26-10-9-19-5-7-20(8-6-19)18(22)14-11-15(23-2)17(25-4)16(12-14)24-3;1-2-8-6-4-3-5-7-8/h11-12H,5-10H2,1-4H3;3-7H,2H2,1H3