2-[(E)-but-2-enoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 2-[(E)-but-2-enoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-[(E)-but-2-enoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 2-[(E)-1-oxobut-2-enyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-[(E)-but-2-enoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-[(E)-but-2-enoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N1CCC2=CC=CC=C2C1C(=O)O

Isomeric SMILES

C/C=C/C(=O)N1CCC2=CC=CC=C2C1C(=O)O

InChI

InChI=1S/C14H15NO3/c1-2-5-12(16)15-9-8-10-6-3-4-7-11(10)13(15)14(17)18/h2-7,13H,8-9H2,1H3,(H,17,18)/b5-2+