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

Systemtic Name: 2-[2-(1,3-benzoxazol-5-ylmethylcarbamoyl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethanoic acid Openeye Name: 2-[2-(1,3-benzoxazol-5-ylmethylcarbamoyl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid CAS Name: 2-[2-[(1,3-benzoxazol-5-ylmethylamino)-oxomethyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid IUPAC Name: 2-[2-(1,3-benzoxazol-5-ylmethylcarbamoyl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid Traditional Name: 2-[2-(1,3-benzoxazol-5-ylmethylcarbamoyl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C2C1CC(=O)O)C(=O)NCC3=CC4=C(C=C3)OC=N4

Isomeric SMILES

C1CN(CC2=CC=CC=C2C1CC(=O)O)C(=O)NCC3=CC4=C(C=C3)OC=N4

InChI

InChI=1S/C21H21N3O4/c25-20(26)10-15-7-8-24(12-16-3-1-2-4-17(15)16)21(27)22-11-14-5-6-19-18(9-14)23-13-28-19/h1-6,9,13,15H,7-8,10-12H2,(H,22,27)(H,25,26)