tert-butyl (1E)-1-(2-methoxy-2-oxidanylidene-ethylidene)-7-phenylmethoxy-3,4-dihydro-2H-benzo[g][1]benzazepine-5-carboxylate

Systemtic Name: tert-butyl (1E)-1-(2-methoxy-2-oxidanylidene-ethylidene)-7-phenylmethoxy-3,4-dihydro-2H-benzo[g][1]benzazepine-5-carboxylate Openeye Name: tert-butyl (1E)-7-benzyloxy-1-(2-methoxy-2-oxo-ethylidene)-3,4-dihydro-2H-benzo[g][1]benzazepine-5-carboxylate CAS Name: (1E)-1-(2-methoxy-2-oxoethylidene)-7-phenylmethoxy-3,4-dihydro-2H-benzo[g][1]benzazepine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1E)-1-(2-methoxy-2-oxoethylidene)-7-phenylmethoxy-3,4-dihydro-2H-benzo[g][1]benzazepine-5-carboxylate Traditional Name: (1E)-7-benzoxy-1-(2-keto-2-methoxy-ethylidene)-3,4-dihydro-2H-benzo[g][1]benzazepine-5-carboxylic acid tert-butyl ester Formula: C29H31NO5 MolecularWeight: 473.56014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC/C(=C\C(=O)OC)/C2=C1C=C(C3=CC=CC=C32)OCC4=CC=CC=C4

InChI

InChI=1S/C29H31NO5/c1-29(2,3)35-28(32)30-16-10-13-21(17-26(31)33-4)27-23-15-9-8-14-22(23)25(18-24(27)30)34-19-20-11-6-5-7-12-20/h5-9,11-12,14-15,17-18H,10,13,16,19H2,1-4H3/b21-17+