phenyl 2-ethynyl-4-(1-hydroxyethyl)-2H-quinoline-1-carboxylate

Systemtic Name: phenyl 2-ethynyl-4-(1-hydroxyethyl)-2H-quinoline-1-carboxylate Openeye Name: phenyl 2-ethynyl-4-(1-hydroxyethyl)-2H-quinoline-1-carboxylate CAS Name: 2-ethynyl-4-(1-hydroxyethyl)-2H-quinoline-1-carboxylic acid phenyl ester IUPAC Name: phenyl 2-ethynyl-4-(1-hydroxyethyl)-2H-quinoline-1-carboxylate Traditional Name: 2-ethynyl-4-(1-hydroxyethyl)-2H-quinoline-1-carboxylic acid phenyl ester Formula: C20H17NO3 MolecularWeight: 319.35388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(N(C2=CC=CC=C21)C(=O)OC3=CC=CC=C3)C#C)O

Isomeric SMILES

CC(C1=CC(N(C2=CC=CC=C21)C(=O)OC3=CC=CC=C3)C#C)O

InChI

InChI=1S/C20H17NO3/c1-3-15-13-18(14(2)22)17-11-7-8-12-19(17)21(15)20(23)24-16-9-5-4-6-10-16/h1,4-15,22H,2H3