methyl (4aS,6R,8aS)-4a-methoxy-6-phenylmethoxy-4,5,6,8a-tetrahydro-1,2-benzoxazine-3-carboxylate

Systemtic Name: methyl (4aS,6R,8aS)-4a-methoxy-6-phenylmethoxy-4,5,6,8a-tetrahydro-1,2-benzoxazine-3-carboxylate Openeye Name: methyl (4aS,6R,8aS)-6-benzyloxy-4a-methoxy-4,5,6,8a-tetrahydro-1,2-benzoxazine-3-carboxylate CAS Name: (4aS,6R,8aS)-4a-methoxy-6-phenylmethoxy-4,5,6,8a-tetrahydro-1,2-benzoxazine-3-carboxylic acid methyl ester IUPAC Name: methyl (4aS,6R,8aS)-4a-methoxy-6-phenylmethoxy-4,5,6,8a-tetrahydro-1,2-benzoxazine-3-carboxylate Traditional Name: (4aS,6R,8aS)-6-benzoxy-4a-methoxy-4,5,6,8a-tetrahydro-1,2-benzoxazine-3-carboxylic acid methyl ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NOC2C=CC(CC2(C1)OC)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NO[C@H]2C=C[C@@H](C[C@]2(C1)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C18H21NO5/c1-21-17(20)15-11-18(22-2)10-14(8-9-16(18)24-19-15)23-12-13-6-4-3-5-7-13/h3-9,14,16H,10-12H2,1-2H3/t14-,16-,18+/m0/s1