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

Systemtic Name: (3S,4R)-2-(cyclopropylmethyl)-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: (3S,4R)-2-(cyclopropylmethyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3S,4R)-2-(cyclopropylmethyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: (3S,4R)-2-(cyclopropylmethyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3S,4R)-2-(cyclopropylmethyl)-1-keto-3-(4-methoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylate Formula: C21H20NO4- MolecularWeight: 350.3878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4CC4)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@@H](C3=CC=CC=C3C(=O)N2CC4CC4)C(=O)[O-]

InChI

InChI=1S/C21H21NO4/c1-26-15-10-8-14(9-11-15)19-18(21(24)25)16-4-2-3-5-17(16)20(23)22(19)12-13-6-7-13/h2-5,8-11,13,18-19H,6-7,12H2,1H3,(H,24,25)/p-1/t18-,19-/m1/s1