2-prop-2-enyl-3-quinolin-3-yl-pentanedioic acid

Systemtic Name: 2-prop-2-enyl-3-quinolin-3-yl-pentanedioic acid Openeye Name: 2-allyl-3-(3-quinolyl)pentanedioic acid CAS Name: 2-prop-2-enyl-3-(3-quinolinyl)pentanedioic acid IUPAC Name: 2-prop-2-enyl-3-quinolin-3-ylpentanedioic acid Traditional Name: 2-allyl-3-(3-quinolyl)glutaric acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CC(=O)O)C1=CC2=CC=CC=C2N=C1)C(=O)O

Isomeric SMILES

C=CCC(C(CC(=O)O)C1=CC2=CC=CC=C2N=C1)C(=O)O

InChI

InChI=1S/C17H17NO4/c1-2-5-13(17(21)22)14(9-16(19)20)12-8-11-6-3-4-7-15(11)18-10-12/h2-4,6-8,10,13-14H,1,5,9H2,(H,19,20)(H,21,22)