5-(4-hydroxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-pentanoate

Systemtic Name: 5-(4-hydroxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-pentanoate Openeye Name: 4-(tert-butoxycarbonylamino)-5-(4-hydroxyphenyl)-3-oxo-pentanoate CAS Name: 5-(4-hydroxyphenyl)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopentanoate IUPAC Name: 5-(4-hydroxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoate Traditional Name: 4-(tert-butoxycarbonylamino)-5-(4-hydroxyphenyl)-3-keto-valerate Formula: C16H20NO6- MolecularWeight: 322.3331

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)CC(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)CC(=O)[O-]

InChI

InChI=1S/C16H21NO6/c1-16(2,3)23-15(22)17-12(13(19)9-14(20)21)8-10-4-6-11(18)7-5-10/h4-7,12,18H,8-9H2,1-3H3,(H,17,22)(H,20,21)/p-1