decanedioate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: decanedioate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: decanedioate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: decanedioate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate IUPAC Name: decanedioate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate; sebacate Formula: C26H30NO6-3 MolecularWeight: 452.5195

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)[O-].C(CCCCC(=O)[O-])CCCC(=O)[O-]

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)[O-].C(CCCCC(=O)[O-])CCCC(=O)[O-]

InChI

InChI=1S/C16H15NO2.C10H18O4/c18-16(19)17-11-10-12-6-4-5-9-14(12)15(17)13-7-2-1-3-8-13;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-9,15H,10-11H2,(H,18,19);1-8H2,(H,11,12)(H,13,14)/p-3