8-methoxy-6-methyl-3-phenethyl-2,4-dihydro-1,3-benzoxazine; 4-methylbenzenesulfonic acid

Systemtic Name: 8-methoxy-6-methyl-3-phenethyl-2,4-dihydro-1,3-benzoxazine; 4-methylbenzenesulfonic acid Openeye Name: 8-methoxy-6-methyl-3-phenethyl-2,4-dihydro-1,3-benzoxazine; 4-methylbenzenesulfonic acid CAS Name: 8-methoxy-6-methyl-3-phenethyl-2,4-dihydro-1,3-benzoxazine; 4-methylbenzenesulfonic acid IUPAC Name: 8-methoxy-6-methyl-3-phenethyl-2,4-dihydro-1,3-benzoxazine; 4-methylbenzenesulfonic acid Traditional Name: 8-methoxy-6-methyl-3-phenethyl-2,4-dihydro-1,3-benzoxazine; tosylic acid Formula: C25H29NO5S MolecularWeight: 455.56646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=C2C(=C1)CN(CO2)CCC3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=C2C(=C1)CN(CO2)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C18H21NO2.C7H8O3S/c1-14-10-16-12-19(9-8-15-6-4-3-5-7-15)13-21-18(16)17(11-14)20-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,10-11H,8-9,12-13H2,1-2H3;2-5H,1H3,(H,8,9,10)