2-[(3R)-3-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[(3R)-3-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[(3R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[(3R)-3-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[(3R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[(3R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)CC(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)[C@@H]1NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)CC(=O)O

InChI

InChI=1S/C21H18ClN3O4/c22-14-6-8-15-13(9-14)10-17(23-15)20(28)24-16-7-5-12-3-1-2-4-18(12)25(21(16)29)11-19(26)27/h1-4,6,8-10,16,23H,5,7,11H2,(H,24,28)(H,26,27)/t16-/m1/s1