1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-3-carboxylic acid Openeye Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-methyl-propyl]piperidine-3-carboxylic acid CAS Name: 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-3-carboxylic acid Traditional Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-methyl-propyl]nipecotic acid Formula: C24H30N2O2 MolecularWeight: 378.5072

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C2=CC=CC=C2CCC3=CC=CC=C31)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC(CCN1C2=CC=CC=C2CCC3=CC=CC=C31)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C24H30N2O2/c1-18(25-15-6-9-21(17-25)24(27)28)14-16-26-22-10-4-2-7-19(22)12-13-20-8-3-5-11-23(20)26/h2-5,7-8,10-11,18,21H,6,9,12-17H2,1H3,(H,27,28)