2-(1,3-benzodioxol-5-yl)-3-chloranyl-5,6,7,8-tetrahydroquinoline-5-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-chloranyl-5,6,7,8-tetrahydroquinoline-5-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-chloro-5,6,7,8-tetrahydroquinoline-5-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-3-chloro-5,6,7,8-tetrahydroquinoline-5-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-chloro-5,6,7,8-tetrahydroquinoline-5-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-chloro-5,6,7,8-tetrahydroquinoline-5-carboxylic acid Formula: C17H14ClNO4 MolecularWeight: 331.75036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC(=C(N=C2C1)C3=CC4=C(C=C3)OCO4)Cl)C(=O)O

Isomeric SMILES

C1CC(C2=CC(=C(N=C2C1)C3=CC4=C(C=C3)OCO4)Cl)C(=O)O

InChI

InChI=1S/C17H14ClNO4/c18-12-7-11-10(17(20)21)2-1-3-13(11)19-16(12)9-4-5-14-15(6-9)23-8-22-14/h4-7,10H,1-3,8H2,(H,20,21)