8-methoxy-3-(3-phenylpropyl)-2,4-dihydro-1,3-benzoxazine; 4-methylbenzenesulfonic acid

Systemtic Name: 8-methoxy-3-(3-phenylpropyl)-2,4-dihydro-1,3-benzoxazine; 4-methylbenzenesulfonic acid Openeye Name: 8-methoxy-3-(3-phenylpropyl)-2,4-dihydro-1,3-benzoxazine; 4-methylbenzenesulfonic acid CAS Name: 8-methoxy-3-(3-phenylpropyl)-2,4-dihydro-1,3-benzoxazine; 4-methylbenzenesulfonic acid IUPAC Name: 8-methoxy-3-(3-phenylpropyl)-2,4-dihydro-1,3-benzoxazine; 4-methylbenzenesulfonic acid Traditional Name: 8-methoxy-3-(3-phenylpropyl)-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.COC1=CC=CC2=C1OCN(C2)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=CC2=C1OCN(C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C18H21NO2.C7H8O3S/c1-20-17-11-5-10-16-13-19(14-21-18(16)17)12-6-9-15-7-3-2-4-8-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,7-8,10-11H,6,9,12-14H2,1H3;2-5H,1H3,(H,8,9,10)