methyl 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]-2-oxidanyl-3-phenyl-benzoate

Systemtic Name: methyl 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]-2-oxidanyl-3-phenyl-benzoate Openeye Name: methyl 6-[4-(tert-butoxycarbonylamino)butoxy]-2-hydroxy-3-phenyl-benzoate CAS Name: 2-hydroxy-6-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butoxy]-3-phenylbenzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]-3-phenylbenzoate Traditional Name: 6-[4-(tert-butoxycarbonylamino)butoxy]-2-hydroxy-3-phenyl-benzoic acid methyl ester Formula: C23H29NO6 MolecularWeight: 415.47946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCOC1=C(C(=C(C=C1)C2=CC=CC=C2)O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCOC1=C(C(=C(C=C1)C2=CC=CC=C2)O)C(=O)OC

InChI

InChI=1S/C23H29NO6/c1-23(2,3)30-22(27)24-14-8-9-15-29-18-13-12-17(16-10-6-5-7-11-16)20(25)19(18)21(26)28-4/h5-7,10-13,25H,8-9,14-15H2,1-4H3,(H,24,27)