2-[4-[3-(4-butoxyphenyl)-3-oxidanylidene-propyl]piperazin-1-yl]ethyl ethanoate; ethylbenzene

Systemtic Name: 2-[4-[3-(4-butoxyphenyl)-3-oxidanylidene-propyl]piperazin-1-yl]ethyl ethanoate; ethylbenzene Openeye Name: 2-[4-[3-(4-butoxyphenyl)-3-oxo-propyl]piperazin-1-yl]ethyl acetate; ethylbenzene CAS Name: acetic acid 2-[4-[3-(4-butoxyphenyl)-3-oxopropyl]-1-piperazinyl]ethyl ester; ethylbenzene IUPAC Name: 2-[4-[3-(4-butoxyphenyl)-3-oxopropyl]piperazin-1-yl]ethyl acetate; ethylbenzene Traditional Name: acetic acid 2-[4-[3-(4-butoxyphenyl)-3-keto-propyl]piperazino]ethyl ester; ethylbenzene Formula: C29H42N2O4 MolecularWeight: 482.65478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)CCN2CCN(CC2)CCOC(=O)C.CCC1=CC=CC=C1

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)CCN2CCN(CC2)CCOC(=O)C.CCC1=CC=CC=C1

InChI

InChI=1S/C21H32N2O4.C8H10/c1-3-4-16-27-20-7-5-19(6-8-20)21(25)9-10-22-11-13-23(14-12-22)15-17-26-18(2)24;1-2-8-6-4-3-5-7-8/h5-8H,3-4,9-17H2,1-2H3;3-7H,2H2,1H3