1-[[1-(2-ethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]carbonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[1-(2-ethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]carbonyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(2-ethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-(2-ethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(2-ethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-(1-o-phenetyl-9H-$b-carboline-3-carbonyl)isonipecotic acid Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=C3C(=CC(=N2)C(=O)N4CCC(CC4)C(=O)O)C5=CC=CC=C5N3

Isomeric SMILES

CCOC1=CC=CC=C1C2=C3C(=CC(=N2)C(=O)N4CCC(CC4)C(=O)O)C5=CC=CC=C5N3

InChI

InChI=1S/C26H25N3O4/c1-2-33-22-10-6-4-8-18(22)23-24-19(17-7-3-5-9-20(17)27-24)15-21(28-23)25(30)29-13-11-16(12-14-29)26(31)32/h3-10,15-16,27H,2,11-14H2,1H3,(H,31,32)