phenyl 4-(1-oxidanylpropan-2-yl)-2-(3-phenylmethoxyprop-1-ynyl)-2H-quinoline-1-carboxylate

Systemtic Name: phenyl 4-(1-oxidanylpropan-2-yl)-2-(3-phenylmethoxyprop-1-ynyl)-2H-quinoline-1-carboxylate Openeye Name: phenyl 2-(3-benzyloxyprop-1-ynyl)-4-(2-hydroxy-1-methyl-ethyl)-2H-quinoline-1-carboxylate CAS Name: 4-(1-hydroxypropan-2-yl)-2-(3-phenylmethoxyprop-1-ynyl)-2H-quinoline-1-carboxylic acid phenyl ester IUPAC Name: phenyl 4-(1-hydroxypropan-2-yl)-2-(3-phenylmethoxyprop-1-ynyl)-2H-quinoline-1-carboxylate Traditional Name: 2-(3-benzoxyprop-1-ynyl)-4-(2-hydroxy-1-methyl-ethyl)-2H-quinoline-1-carboxylic acid phenyl ester Formula: C29H27NO4 MolecularWeight: 453.52898

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C1=CC(N(C2=CC=CC=C21)C(=O)OC3=CC=CC=C3)C#CCOCC4=CC=CC=C4

Isomeric SMILES

CC(CO)C1=CC(N(C2=CC=CC=C21)C(=O)OC3=CC=CC=C3)C#CCOCC4=CC=CC=C4

InChI

InChI=1S/C29H27NO4/c1-22(20-31)27-19-24(13-10-18-33-21-23-11-4-2-5-12-23)30(28-17-9-8-16-26(27)28)29(32)34-25-14-6-3-7-15-25/h2-9,11-12,14-17,19,22,24,31H,18,20-21H2,1H3