(8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) 2-phenoxyethanoate

Systemtic Name: (8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) 2-phenoxyethanoate Openeye Name: (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester IUPAC Name: (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester Formula: C25H24ClNO3 MolecularWeight: 421.91596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC(=O)COC4=CC=CC=C4)Cl

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC(=O)COC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H24ClNO3/c1-27-13-12-19-14-23(26)24(30-25(28)17-29-20-10-6-3-7-11-20)15-21(19)22(16-27)18-8-4-2-5-9-18/h2-11,14-15,22H,12-13,16-17H2,1H3