(E,2S,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-undec-4-en-6-ynoic acid

Systemtic Name: (E,2S,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-undec-4-en-6-ynoic acid Openeye Name: (E,2S,3S)-2-(tert-butoxycarbonylamino)-3-phenyl-undec-4-en-6-ynoic acid CAS Name: (E,2S,3S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylundec-4-en-6-ynoic acid IUPAC Name: (E,2S,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylundec-4-en-6-ynoic acid Traditional Name: (E,2S,3S)-2-(tert-butoxycarbonylamino)-3-phenyl-undec-4-en-6-ynoic acid Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC=CC(C1=CC=CC=C1)C(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC#C/C=C/[C@@H](C1=CC=CC=C1)[C@@H](C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H29NO4/c1-5-6-7-8-9-13-16-18(17-14-11-10-12-15-17)19(20(24)25)23-21(26)27-22(2,3)4/h10-16,18-19H,5-7H2,1-4H3,(H,23,26)(H,24,25)/b16-13+/t18-,19-/m0/s1