1-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 1-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 1-[butoxy(oxo)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 1-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 1-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C15H19NO4 MolecularWeight: 277.31566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C2=CC=CC=C2CC(N1)C(=O)O

Isomeric SMILES

CCCCOC(=O)C1C2=CC=CC=C2CC(N1)C(=O)O

InChI

InChI=1S/C15H19NO4/c1-2-3-8-20-15(19)13-11-7-5-4-6-10(11)9-12(16-13)14(17)18/h4-7,12-13,16H,2-3,8-9H2,1H3,(H,17,18)