tert-butyl 1-methylidene-7-phenylmethoxy-3,4-dihydro-2H-benzo[g][1]benzazepine-5-carboxylate

Systemtic Name: tert-butyl 1-methylidene-7-phenylmethoxy-3,4-dihydro-2H-benzo[g][1]benzazepine-5-carboxylate Openeye Name: tert-butyl 7-benzyloxy-1-methylene-3,4-dihydro-2H-benzo[g][1]benzazepine-5-carboxylate CAS Name: 1-methylene-7-phenylmethoxy-3,4-dihydro-2H-benzo[g][1]benzazepine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-methylidene-7-phenylmethoxy-3,4-dihydro-2H-benzo[g][1]benzazepine-5-carboxylate Traditional Name: 7-benzoxy-1-methylene-3,4-dihydro-2H-benzo[g][1]benzazepine-5-carboxylic acid tert-butyl ester Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(=C)C2=C1C=C(C3=CC=CC=C32)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(=C)C2=C1C=C(C3=CC=CC=C32)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29NO3/c1-19-11-10-16-28(26(29)31-27(2,3)4)23-17-24(30-18-20-12-6-5-7-13-20)21-14-8-9-15-22(21)25(19)23/h5-9,12-15,17H,1,10-11,16,18H2,2-4H3