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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4OC)Cl

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4OC)Cl

InChI

InChI=1S/C25H24ClNO3/c1-27-13-12-18-14-22(26)24(30-25(28)19-10-6-7-11-23(19)29-2)15-20(18)21(16-27)17-8-4-3-5-9-17/h3-11,14-15,21H,12-13,16H2,1-2H3