5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-5-oxidanylidene-pentanoate

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-5-oxidanylidene-pentanoate Openeye Name: 5-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-5-oxo-pentanoate CAS Name: 5-[[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]amino]-5-oxopentanoate IUPAC Name: 5-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-5-oxopentanoate Traditional Name: 5-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-5-keto-valerate Formula: C15H17N2O4- MolecularWeight: 289.30648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C15H18N2O4/c18-13(6-3-7-14(19)20)16-15(21)17-9-8-11-4-1-2-5-12(11)10-17/h1-2,4-5H,3,6-10H2,(H,19,20)(H,16,18,21)/p-1