sodium (3S)-7-[2-(5-ethylpyridin-2-yl)ethoxy]-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: sodium (3S)-7-[2-(5-ethylpyridin-2-yl)ethoxy]-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: sodium (3S)-2-benzyl-7-[2-(5-ethyl-2-pyridyl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: sodium (3S)-7-[2-(5-ethyl-2-pyridinyl)ethoxy]-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: sodium (3S)-2-benzyl-7-[2-(5-ethylpyridin-2-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: sodium (3S)-2-benzyl-7-[2-(5-ethyl-2-pyridyl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C26H27N2NaO3 MolecularWeight: 438.49395

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)CCOC2=CC3=C(CC(N(C3)CC4=CC=CC=C4)C(=O)[O-])C=C2.[Na+]

Isomeric SMILES

CCC1=CN=C(C=C1)CCOC2=CC3=C(C[C@H](N(C3)CC4=CC=CC=C4)C(=O)[O-])C=C2.[Na+]

InChI

InChI=1S/C26H28N2O3.Na/c1-2-19-8-10-23(27-16-19)12-13-31-24-11-9-21-15-25(26(29)30)28(18-22(21)14-24)17-20-6-4-3-5-7-20;/h3-11,14,16,25H,2,12-13,15,17-18H2,1H3,(H,29,30);/q;+1/p-1/t25-;/m0./s1