1-(pentan-2-ylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(pentan-2-ylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(1-methylbutylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(pentan-2-ylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(pentan-2-ylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(1-methylbutylamino)isoquinoline-3-carboxylic acid Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2/c1-3-6-10(2)16-14-12-8-5-4-7-11(12)9-13(17-14)15(18)19/h4-5,7-10H,3,6H2,1-2H3,(H,16,17)(H,18,19)