1-[[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]carbonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]carbonyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(3-methoxyphenyl)-9H-$b-carboline-3-carbonyl]isonipecotic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C3C(=CC(=N2)C(=O)N4CCC(CC4)C(=O)O)C5=CC=CC=C5N3

Isomeric SMILES

COC1=CC=CC(=C1)C2=C3C(=CC(=N2)C(=O)N4CCC(CC4)C(=O)O)C5=CC=CC=C5N3

InChI

InChI=1S/C25H23N3O4/c1-32-17-6-4-5-16(13-17)22-23-19(18-7-2-3-8-20(18)26-23)14-21(27-22)24(29)28-11-9-15(10-12-28)25(30)31/h2-8,13-15,26H,9-12H2,1H3,(H,30,31)