1-[bis(prop-2-enyl)amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[bis(prop-2-enyl)amino]isoquinoline-3-carboxylic acid Openeye Name: 1-(diallylamino)isoquinoline-3-carboxylic acid CAS Name: 1-[bis(prop-2-enyl)amino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[bis(prop-2-enyl)amino]isoquinoline-3-carboxylic acid Traditional Name: 1-(diallylamino)isoquinoline-3-carboxylic acid Formula: C16H16N2O2 MolecularWeight: 268.31044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

C=CCN(CC=C)C1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C16H16N2O2/c1-3-9-18(10-4-2)15-13-8-6-5-7-12(13)11-14(17-15)16(19)20/h3-8,11H,1-2,9-10H2,(H,19,20)