1-[3-(5-methyl-6H-benzo[b][1,4]benzodiazepin-11-yl)propyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[3-(5-methyl-6H-benzo[b][1,4]benzodiazepin-11-yl)propyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-(5-methyl-6H-benzo[b][1,4]benzodiazepin-11-yl)propyl]piperidine-3-carboxylic acid CAS Name: 1-[3-(5-methyl-6H-benzo[b][1,4]benzodiazepin-11-yl)propyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-(5-methyl-6H-benzo[b][1,4]benzodiazepin-11-yl)propyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-(5-methyl-6H-benzo[b][1,4]benzodiazepin-11-yl)propyl]nipecotic acid Formula: C23H29N3O2 MolecularWeight: 379.49526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2N(C3=CC=CC=C31)CCCN4CCCC(C4)C(=O)O

Isomeric SMILES

CN1CC2=CC=CC=C2N(C3=CC=CC=C31)CCCN4CCCC(C4)C(=O)O

InChI

InChI=1S/C23H29N3O2/c1-24-16-18-8-2-3-10-20(18)26(22-12-5-4-11-21(22)24)15-7-14-25-13-6-9-19(17-25)23(27)28/h2-5,8,10-12,19H,6-7,9,13-17H2,1H3,(H,27,28)