methyl (3R)-2-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)CN2CC3=CC=CC=C3CC2C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)CN2CC3=CC=CC=C3C[C@@H]2C(=O)OC

InChI

InChI=1S/C23H28N2O5/c1-3-29-19-8-10-20(11-9-19)30-13-12-24-22(26)16-25-15-18-7-5-4-6-17(18)14-21(25)23(27)28-2/h4-11,21H,3,12-16H2,1-2H3,(H,24,26)/t21-/m1/s1