2-(cyclohexa-1,5-dien-1-ylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-hexanoic acid

Systemtic Name: 2-(cyclohexa-1,5-dien-1-ylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-hexanoic acid Openeye Name: 5-(tert-butoxycarbonylamino)-2-(cyclohexa-1,5-dien-1-ylmethyl)-6-phenyl-hexanoic acid CAS Name: 2-(1-cyclohexa-1,5-dienylmethyl)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-phenylhexanoic acid IUPAC Name: 2-(cyclohexa-1,5-dien-1-ylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexanoic acid Traditional Name: 5-(tert-butoxycarbonylamino)-2-(cyclohexa-1,5-dien-1-ylmethyl)-6-phenyl-hexanoic acid Formula: C24H33NO4 MolecularWeight: 399.52312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(CC1=CCCC=C1)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC(CC1=CCCC=C1)C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C24H33NO4/c1-24(2,3)29-23(28)25-21(17-19-12-8-5-9-13-19)15-14-20(22(26)27)16-18-10-6-4-7-11-18/h5-6,8-13,20-21H,4,7,14-17H2,1-3H3,(H,25,28)(H,26,27)