methyl 3-oxidanyl-2-[(7-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-oxidanyl-2-[(7-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)carbonylamino]propanoate Openeye Name: methyl 2-[(7-benzyloxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]-3-hydroxy-propanoate CAS Name: 3-hydroxy-2-[[oxo-(7-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[(7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate Traditional Name: 2-[(7-benzoxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]-3-hydroxy-propionic acid methyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1CC2=C(CN1)C=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1CC2=C(CN1)C=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5/c1-27-21(26)19(12-24)23-20(25)18-10-15-7-8-17(9-16(15)11-22-18)28-13-14-5-3-2-4-6-14/h2-9,18-19,22,24H,10-13H2,1H3,(H,23,25)