4-[(4-ethoxyphenyl)methyl]-9-methoxy-7-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-[(4-ethoxyphenyl)methyl]-9-methoxy-7-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-[(4-ethoxyphenyl)methyl]-9-methoxy-7-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-[(4-ethoxyphenyl)methyl]-9-methoxy-7-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-[(4-ethoxyphenyl)methyl]-9-methoxy-7-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-(4-ethoxybenzyl)-9-methoxy-7-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C26H30NO4+ MolecularWeight: 420.5207

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CC(=CC=C4)OC

InChI

InChI=1S/C26H29NO4/c1-4-30-23-10-8-19(9-11-23)17-27-12-13-31-26-22(18-27)14-21(16-25(26)29-3)20-6-5-7-24(15-20)28-2/h5-11,14-16H,4,12-13,17-18H2,1-3H3/p+1