4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridyl]amino]-4-keto-butyric acid Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC=C(C=C3)NC(=O)CCC(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC=C(C=C3)NC(=O)CCC(=O)O

InChI

InChI=1S/C18H19N3O3/c22-17(7-8-18(23)24)20-15-5-6-16(19-11-15)21-10-9-13-3-1-2-4-14(13)12-21/h1-6,11H,7-10,12H2,(H,20,22)(H,23,24)