tert-butyl 2-[4-[2-oxidanylidene-2-(phenanthren-4-ylamino)ethyl]piperazin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-[2-oxidanylidene-2-(phenanthren-4-ylamino)ethyl]piperazin-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-[2-oxo-2-(4-phenanthrylamino)ethyl]piperazin-1-yl]acetate CAS Name: 2-[4-[2-oxo-2-(4-phenanthrenylamino)ethyl]-1-piperazinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[2-oxo-2-(phenanthren-4-ylamino)ethyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[2-keto-2-(4-phenanthrylamino)ethyl]piperazino]acetic acid tert-butyl ester Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCN(CC1)CC(=O)NC2=CC=CC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCN(CC1)CC(=O)NC2=CC=CC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C26H31N3O3/c1-26(2,3)32-24(31)18-29-15-13-28(14-16-29)17-23(30)27-22-10-6-8-20-12-11-19-7-4-5-9-21(19)25(20)22/h4-12H,13-18H2,1-3H3,(H,27,30)