1-[2-[4-[[3-(9H-carbazol-4-yloxy)-2-oxidanyl-propyl]amino]-3-methyl-butyl]phenyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[4-[[3-(9H-carbazol-4-yloxy)-2-oxidanyl-propyl]amino]-3-methyl-butyl]phenyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxy-propyl]amino]-3-methyl-butyl]phenyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-methylbutyl]phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-methylbutyl]phenyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxy-propyl]amino]-3-methyl-butyl]phenyl]isonipecotic acid Formula: C32H39N3O4 MolecularWeight: 529.66976

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1N2CCC(CC2)C(=O)O)CNCC(COC3=CC=CC4=C3C5=CC=CC=C5N4)O

Isomeric SMILES

CC(CCC1=CC=CC=C1N2CCC(CC2)C(=O)O)CNCC(COC3=CC=CC4=C3C5=CC=CC=C5N4)O

InChI

InChI=1S/C32H39N3O4/c1-22(13-14-23-7-2-5-11-29(23)35-17-15-24(16-18-35)32(37)38)19-33-20-25(36)21-39-30-12-6-10-28-31(30)26-8-3-4-9-27(26)34-28/h2-12,22,24-25,33-34,36H,13-21H2,1H3,(H,37,38)