2-[2-(3H-benzimidazol-5-ylmethylcarbamoyl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethanoic acid

Systemtic Name: 2-[2-(3H-benzimidazol-5-ylmethylcarbamoyl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethanoic acid Openeye Name: 2-[2-(3H-benzimidazol-5-ylmethylcarbamoyl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid CAS Name: 2-[2-[(3H-benzimidazol-5-ylmethylamino)-oxomethyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid IUPAC Name: 2-[2-(3H-benzimidazol-5-ylmethylcarbamoyl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid Traditional Name: 2-[2-(3H-benzimidazol-5-ylmethylcarbamoyl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C2C1CC(=O)O)C(=O)NCC3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1CN(CC2=CC=CC=C2C1CC(=O)O)C(=O)NCC3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C21H22N4O3/c26-20(27)10-15-7-8-25(12-16-3-1-2-4-17(15)16)21(28)22-11-14-5-6-18-19(9-14)24-13-23-18/h1-6,9,13,15H,7-8,10-12H2,(H,22,28)(H,23,24)(H,26,27)