ethyl 4-[9-methoxy-7-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[9-methoxy-7-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[9-methoxy-7-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylate CAS Name: 4-[9-methoxy-7-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[9-methoxy-7-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylate Traditional Name: 4-[9-methoxy-7-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylic acid ethyl ester Formula: C25H33N2O5+ MolecularWeight: 441.53992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H32N2O5/c1-4-31-25(28)26-11-9-21(10-12-26)27-13-14-32-24-20(17-27)15-19(16-23(24)30-3)18-5-7-22(29-2)8-6-18/h5-8,15-16,21H,4,9-14,17H2,1-3H3/p+1