2-[1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoic acid

Systemtic Name: 2-[1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoic acid Openeye Name: 2-[1-(2-chloro-4-pyrrolidin-1-yl-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid CAS Name: 2-[1-[[2-chloro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid IUPAC Name: 2-[1-(2-chloro-4-pyrrolidin-1-ylbenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid Traditional Name: 2-[1-(2-chloro-4-pyrrolidino-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid Formula: C23H25ClN2O3 MolecularWeight: 412.9092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)CC(=O)O)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)CC(=O)O)Cl

InChI

InChI=1S/C23H25ClN2O3/c24-20-15-17(25-11-3-4-12-25)9-10-19(20)23(29)26-13-5-6-16(14-22(27)28)18-7-1-2-8-21(18)26/h1-2,7-10,15-16H,3-6,11-14H2,(H,27,28)