ethyl 1-cyclopropyl-7-[1-(diphenylmethyl)oxy-2-(hydroxymethyl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-7-[1-(diphenylmethyl)oxy-2-(hydroxymethyl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-[2-benzhydryloxy-1,1-bis(hydroxymethyl)-2-oxo-ethyl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-7-[1-(diphenylmethyl)oxy-3-hydroxy-2-(hydroxymethyl)-1-oxopropan-2-yl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[1-benzhydryloxy-3-hydroxy-2-(hydroxymethyl)-1-oxopropan-2-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-(2-benzhydryloxy-2-keto-1,1-dimethylol-ethyl)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C32H30FNO7 MolecularWeight: 559.581503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)C(CO)(CO)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C5CC5

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)C(CO)(CO)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C32H30FNO7/c1-2-40-30(38)24-17-34(22-13-14-22)27-16-25(26(33)15-23(27)28(24)37)32(18-35,19-36)31(39)41-29(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15-17,22,29,35-36H,2,13-14,18-19H2,1H3