2-[7-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-ynyl]-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]ethanoic acid

Systemtic Name: 2-[7-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-ynyl]-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]ethanoic acid Openeye Name: 2-[7-[5-(tert-butoxycarbonylamino)pent-1-ynyl]-2-oxo-3,4-dihydro-1H-quinolin-3-yl]acetic acid CAS Name: 2-[7-[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pent-1-ynyl]-2-oxo-3,4-dihydro-1H-quinolin-3-yl]acetic acid IUPAC Name: 2-[7-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-ynyl]-2-oxo-3,4-dihydro-1H-quinolin-3-yl]acetic acid Traditional Name: 2-[7-[5-(tert-butoxycarbonylamino)pent-1-ynyl]-2-keto-3,4-dihydro-1H-quinolin-3-yl]acetic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC#CC1=CC2=C(CC(C(=O)N2)CC(=O)O)C=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC#CC1=CC2=C(CC(C(=O)N2)CC(=O)O)C=C1

InChI

InChI=1S/C21H26N2O5/c1-21(2,3)28-20(27)22-10-6-4-5-7-14-8-9-15-12-16(13-18(24)25)19(26)23-17(15)11-14/h8-9,11,16H,4,6,10,12-13H2,1-3H3,(H,22,27)(H,23,26)(H,24,25)