1-but-3-enoxyisoquinoline-3-carboxylic acid

Systemtic Name: 1-but-3-enoxyisoquinoline-3-carboxylic acid Openeye Name: 1-but-3-enoxyisoquinoline-3-carboxylic acid CAS Name: 1-but-3-enoxy-3-isoquinolinecarboxylic acid IUPAC Name: 1-but-3-enoxyisoquinoline-3-carboxylic acid Traditional Name: 1-but-3-enoxyisoquinoline-3-carboxylic acid Formula: C14H13NO3 MolecularWeight: 243.25792

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCOC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

C=CCCOC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H13NO3/c1-2-3-8-18-13-11-7-5-4-6-10(11)9-12(15-13)14(16)17/h2,4-7,9H,1,3,8H2,(H,16,17)