tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)quinolin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)quinolin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1-quinolyl]acetate CAS Name: 2-[3-[[(4-chlorophenyl)methylamino]-oxomethyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1-quinolinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(3-hydroxyprop-1-ynyl)-4-oxoquinolin-1-yl]acetate Traditional Name: 2-[3-[(4-chlorobenzyl)carbamoyl]-6-(3-hydroxyprop-1-ynyl)-4-keto-1-quinolyl]acetic acid tert-butyl ester Formula: C26H25ClN2O5 MolecularWeight: 480.9401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=C(C(=O)C2=C1C=CC(=C2)C#CCO)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=C(C(=O)C2=C1C=CC(=C2)C#CCO)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H25ClN2O5/c1-26(2,3)34-23(31)16-29-15-21(25(33)28-14-18-6-9-19(27)10-7-18)24(32)20-13-17(5-4-12-30)8-11-22(20)29/h6-11,13,15,30H,12,14,16H2,1-3H3,(H,28,33)