ethyl 3-[9,9-dimethyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]xanthen-4-yl]propanoate

Systemtic Name: ethyl 3-[9,9-dimethyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]xanthen-4-yl]propanoate Openeye Name: ethyl 3-[5-[2-(tert-butoxycarbonylamino)ethyl]-9,9-dimethyl-xanthen-4-yl]propanoate CAS Name: 3-[9,9-dimethyl-5-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]-4-xanthenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[9,9-dimethyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]xanthen-4-yl]propanoate Traditional Name: 3-[5-[2-(tert-butoxycarbonylamino)ethyl]-9,9-dimethyl-xanthen-4-yl]propionic acid ethyl ester Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=CC2=C1OC3=C(C2(C)C)C=CC=C3CCNC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CCC1=CC=CC2=C1OC3=C(C2(C)C)C=CC=C3CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C27H35NO5/c1-7-31-22(29)15-14-18-10-8-12-20-23(18)32-24-19(11-9-13-21(24)27(20,5)6)16-17-28-25(30)33-26(2,3)4/h8-13H,7,14-17H2,1-6H3,(H,28,30)