ethyl 7-(dimethylcarbamoyloxy)-6-naphthalen-1-yl-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-3-carboxylate

Systemtic Name: ethyl 7-(dimethylcarbamoyloxy)-6-naphthalen-1-yl-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-3-carboxylate Openeye Name: ethyl 7-(dimethylcarbamoyloxy)-6-(1-naphthyl)-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-3-carboxylate CAS Name: 7-[dimethylamino(oxo)methoxy]-6-(1-naphthalenyl)-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(dimethylcarbamoyloxy)-6-naphthalen-1-yl-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-3-carboxylate Traditional Name: 7-(dimethylcarbamoyloxy)-6-(1-naphthyl)-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-3-carboxylic acid ethyl ester Formula: C28H25N2O5+ MolecularWeight: 469.5085

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)[N+]3=C(CC=C3)C(=C(O2)C4=CC=CC5=CC=CC=C54)OC(=O)N(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)[N+]3=C(CC=C3)C(=C(O2)C4=CC=CC5=CC=CC=C54)OC(=O)N(C)C

InChI

InChI=1S/C28H25N2O5/c1-4-33-27(31)19-14-15-22-24(17-19)34-25(21-12-7-10-18-9-5-6-11-20(18)21)26(35-28(32)29(2)3)23-13-8-16-30(22)23/h5-12,14-17H,4,13H2,1-3H3/q+1