1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(cyclohexylmethyl)-4-oxidanylidene-quinoline-2-carboxylic acid

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(cyclohexylmethyl)-4-oxidanylidene-quinoline-2-carboxylic acid Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(cyclohexylmethyl)-4-oxo-quinoline-2-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(cyclohexylmethyl)-4-oxo-2-quinolinecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(cyclohexylmethyl)-4-oxoquinoline-2-carboxylic acid Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(cyclohexylmethyl)-4-keto-quinaldic acid Formula: C25H24ClNO5 MolecularWeight: 453.91476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2=C(N(C3=CC=CC=C3C2=O)CC4=CC5=C(C=C4Cl)OCO5)C(=O)O

Isomeric SMILES

C1CCC(CC1)CC2=C(N(C3=CC=CC=C3C2=O)CC4=CC5=C(C=C4Cl)OCO5)C(=O)O

InChI

InChI=1S/C25H24ClNO5/c26-19-12-22-21(31-14-32-22)11-16(19)13-27-20-9-5-4-8-17(20)24(28)18(23(27)25(29)30)10-15-6-2-1-3-7-15/h4-5,8-9,11-12,15H,1-3,6-7,10,13-14H2,(H,29,30)