tert-butyl 1-methylidene-7-phenylmethoxy-2,3,4,5-tetrahydrobenzo[i][1]benzazepin-1-ium-5-carboxylate

Systemtic Name: tert-butyl 1-methylidene-7-phenylmethoxy-2,3,4,5-tetrahydrobenzo[i][1]benzazepin-1-ium-5-carboxylate Openeye Name: tert-butyl 7-benzyloxy-1-methylene-2,3,4,5-tetrahydrobenzo[i][1]benzazepin-1-ium-5-carboxylate CAS Name: 1-methylene-7-phenylmethoxy-2,3,4,5-tetrahydrobenzo[i][1]benzazepin-1-ium-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-methylidene-7-phenylmethoxy-2,3,4,5-tetrahydrobenzo[i][1]benzazepin-1-ium-5-carboxylate Traditional Name: 7-benzoxy-1-methylene-2,3,4,5-tetrahydrobenzo[i][1]benzazepin-1-ium-5-carboxylic acid tert-butyl ester Formula: C27H30NO3+ MolecularWeight: 416.532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC[N+](=C)C2=C1C=C(C3=CC=CC=C32)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1CCC[N+](=C)C2=C1C=C(C3=CC=CC=C32)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30NO3/c1-27(2,3)31-26(29)22-15-10-16-28(4)25-21-14-9-8-13-20(21)24(17-23(22)25)30-18-19-11-6-5-7-12-19/h5-9,11-14,17,22H,4,10,15-16,18H2,1-3H3/q+1