1-[4-(2-chloranyl-10,11-dihydrobenzo[d][1]benzazepin-5-yl)butyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[4-(2-chloranyl-10,11-dihydrobenzo[d][1]benzazepin-5-yl)butyl]piperidine-2-carboxylic acid Openeye Name: 1-[4-(2-chloro-10,11-dihydrobenzo[d][1]benzazepin-5-yl)butyl]piperidine-2-carboxylic acid CAS Name: 1-[4-(2-chloro-10,11-dihydrobenzo[d][1]benzazepin-5-yl)butyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[4-(2-chloro-10,11-dihydrobenzo[d][1]benzazepin-5-yl)butyl]piperidine-2-carboxylic acid Traditional Name: 1-[4-(2-chloro-10,11-dihydrobenzo[d][1]benzazepin-5-yl)butyl]pipecolinic acid Formula: C24H29ClN2O2 MolecularWeight: 412.95226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)CCCCN2C=CC3=C(CCC=C3)C4=C2C=CC(=C4)Cl

Isomeric SMILES

C1CCN(C(C1)C(=O)O)CCCCN2C=CC3=C(CCC=C3)C4=C2C=CC(=C4)Cl

InChI

InChI=1S/C24H29ClN2O2/c25-19-10-11-22-21(17-19)20-8-2-1-7-18(20)12-16-27(22)15-6-5-14-26-13-4-3-9-23(26)24(28)29/h1,7,10-12,16-17,23H,2-6,8-9,13-15H2,(H,28,29)