methyl 2-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate

Systemtic Name: methyl 2-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-[3-(2-keto-1,3-benzoxazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)CCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H20N2O5/c1-27-20(25)16-6-4-5-14-13-22(11-9-15(14)16)19(24)10-12-23-17-7-2-3-8-18(17)28-21(23)26/h2-8H,9-13H2,1H3