tert-butyl 7-phenoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Systemtic Name: tert-butyl 7-phenoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Openeye Name: tert-butyl 7-phenoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate CAS Name: 7-phenoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-phenoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Traditional Name: 7-phenoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-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)N1CCC2=C(C=C(C=C2)OC3=CC=CC=C3)C(C1)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C=C(C=C2)OC3=CC=CC=C3)C(C1)C4=CC=CC=C4

InChI

InChI=1S/C27H29NO3/c1-27(2,3)31-26(29)28-17-16-21-14-15-23(30-22-12-8-5-9-13-22)18-24(21)25(19-28)20-10-6-4-7-11-20/h4-15,18,25H,16-17,19H2,1-3H3