4-[3-(aminomethyl)phenyl]-1-(5-phenethylpyridin-3-yl)carbonyl-piperidine-3-carboxylic acid

Systemtic Name: 4-[3-(aminomethyl)phenyl]-1-(5-phenethylpyridin-3-yl)carbonyl-piperidine-3-carboxylic acid Openeye Name: 4-[3-(aminomethyl)phenyl]-1-(5-phenethylpyridine-3-carbonyl)piperidine-3-carboxylic acid CAS Name: 4-[3-(aminomethyl)phenyl]-1-[oxo-(5-phenethyl-3-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(aminomethyl)phenyl]-1-(5-phenethylpyridine-3-carbonyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-(aminomethyl)phenyl]-1-(5-phenethylnicotinoyl)nipecotic acid Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC(=CC=C2)CN)C(=O)O)C(=O)C3=CC(=CN=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(C1C2=CC(=CC=C2)CN)C(=O)O)C(=O)C3=CC(=CN=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c28-15-20-7-4-8-22(13-20)24-11-12-30(18-25(24)27(32)33)26(31)23-14-21(16-29-17-23)10-9-19-5-2-1-3-6-19/h1-8,13-14,16-17,24-25H,9-12,15,18,28H2,(H,32,33)