[6-oxidanyl-1-(phenylmethoxycarbonylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl] ethanoate

Systemtic Name: [6-oxidanyl-1-(phenylmethoxycarbonylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl] ethanoate Openeye Name: [1-(benzyloxycarbonylaminomethyl)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-7-yl] acetate CAS Name: acetic acid [6-hydroxy-1-(phenylmethoxycarbonylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl] ester IUPAC Name: [6-hydroxy-1-(phenylmethoxycarbonylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl] acetate Traditional Name: acetic acid [1-(benzyloxycarbonylaminomethyl)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-7-yl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2CCNC(C2=C1)CNC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)OC1=C(C=C2CCNC(C2=C1)CNC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C20H22N2O5/c1-13(23)27-19-10-16-15(9-18(19)24)7-8-21-17(16)11-22-20(25)26-12-14-5-3-2-4-6-14/h2-6,9-10,17,21,24H,7-8,11-12H2,1H3,(H,22,25)