4-chloranyl-3-(phenylmethyl)quinoline-7-carboxylate

Systemtic Name: 4-chloranyl-3-(phenylmethyl)quinoline-7-carboxylate Openeye Name: 3-benzyl-4-chloro-quinoline-7-carboxylate CAS Name: 4-chloro-3-(phenylmethyl)-7-quinolinecarboxylate IUPAC Name: 3-benzyl-4-chloroquinoline-7-carboxylate Traditional Name: 3-benzyl-4-chloro-quinoline-7-carboxylate Formula: C17H11ClNO2- MolecularWeight: 296.72774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN=C3C=C(C=CC3=C2Cl)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN=C3C=C(C=CC3=C2Cl)C(=O)[O-]

InChI

InChI=1S/C17H12ClNO2/c18-16-13(8-11-4-2-1-3-5-11)10-19-15-9-12(17(20)21)6-7-14(15)16/h1-7,9-10H,8H2,(H,20,21)/p-1