(3R,4S)-2-(3-chloranylpropyl)-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: (3R,4S)-2-(3-chloranylpropyl)-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: (3R,4S)-2-(3-chloropropyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3R,4S)-2-(3-chloropropyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: (3R,4S)-2-(3-chloropropyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3R,4S)-2-(3-chloropropyl)-1-keto-3-(4-methoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylate Formula: C20H19ClNO4- MolecularWeight: 372.82216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CCCCl)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@H](C3=CC=CC=C3C(=O)N2CCCCl)C(=O)[O-]

InChI

InChI=1S/C20H20ClNO4/c1-26-14-9-7-13(8-10-14)18-17(20(24)25)15-5-2-3-6-16(15)19(23)22(18)12-4-11-21/h2-3,5-10,17-18H,4,11-12H2,1H3,(H,24,25)/p-1/t17-,18-/m0/s1