1-(pentan-3-ylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(pentan-3-ylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(1-ethylpropylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(pentan-3-ylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(pentan-3-ylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(1-ethylpropylamino)isoquinoline-3-carboxylic acid Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCC(CC)NC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C15H18N2O2/c1-3-11(4-2)16-14-12-8-6-5-7-10(12)9-13(17-14)15(18)19/h5-9,11H,3-4H2,1-2H3,(H,16,17)(H,18,19)