6-butan-2-yl-4-(6-chloranyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

Systemtic Name: 6-butan-2-yl-4-(6-chloranyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Openeye Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-6-sec-butyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid CAS Name: 6-butan-2-yl-4-(6-chloro-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid IUPAC Name: 6-butan-2-yl-4-(6-chloro-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Traditional Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-6-sec-butyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)NC(CC2C3=CC4=C(C=C3Cl)OCO4)C(=O)O

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)NC(CC2C3=CC4=C(C=C3Cl)OCO4)C(=O)O

InChI

InChI=1S/C21H22ClNO4/c1-3-11(2)12-4-5-17-15(6-12)13(7-18(23-17)21(24)25)14-8-19-20(9-16(14)22)27-10-26-19/h4-6,8-9,11,13,18,23H,3,7,10H2,1-2H3,(H,24,25)