(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-7-yl) 3-(quinolin-2-ylmethoxy)benzoate

Systemtic Name: (2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-7-yl) 3-(quinolin-2-ylmethoxy)benzoate Openeye Name: (2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl) 3-(2-quinolylmethoxy)benzoate CAS Name: 3-(2-quinolinylmethoxy)benzoic acid (2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl) ester IUPAC Name: (2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl) 3-(quinolin-2-ylmethoxy)benzoate Traditional Name: 3-(2-quinolylmethoxy)benzoic acid (2-keto-1,3,4,5-tetrahydro-1-benzazepin-7-yl) ester Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)OC(=O)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4)NC(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2)OC(=O)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4)NC(=O)C1

InChI

InChI=1S/C27H22N2O4/c30-26-10-4-6-19-15-23(13-14-25(19)29-26)33-27(31)20-7-3-8-22(16-20)32-17-21-12-11-18-5-1-2-9-24(18)28-21/h1-3,5,7-9,11-16H,4,6,10,17H2,(H,29,30)