tert-butyl 4-[2-[4-[4-(3-oxidanylpropanoylamino)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-[4-(3-oxidanylpropanoylamino)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-[4-(3-hydroxypropanoylamino)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-[4-[(3-hydroxy-1-oxopropyl)amino]phenyl]-1-piperazinyl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-[4-(3-hydroxypropanoylamino)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-[4-(3-hydroxypropanoylamino)phenyl]piperazino]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H40N4O4 MolecularWeight: 460.6095

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCO

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCO

InChI

InChI=1S/C25H40N4O4/c1-25(2,3)33-24(32)29-13-9-20(10-14-29)8-12-27-15-17-28(18-16-27)22-6-4-21(5-7-22)26-23(31)11-19-30/h4-7,20,30H,8-19H2,1-3H3,(H,26,31)