4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(3-methoxyphenyl)piperidine-4-carboxylic acid

Systemtic Name: 4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(3-methoxyphenyl)piperidine-4-carboxylic acid Openeye Name: 4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(3-methoxyphenyl)piperidine-4-carboxylic acid CAS Name: 4-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-(3-methoxyphenyl)-4-piperidinecarboxylic acid IUPAC Name: 4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(3-methoxyphenyl)piperidine-4-carboxylic acid Traditional Name: 4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(3-methoxyphenyl)isonipecotic acid Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCC(CC2)(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

COC1=CC=CC(=C1)N2CCC(CC2)(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C28H28N2O5/c1-34-20-8-6-7-19(17-20)30-15-13-28(14-16-30,26(31)32)29-27(33)35-18-25-23-11-4-2-9-21(23)22-10-3-5-12-24(22)25/h2-12,17,25H,13-16,18H2,1H3,(H,29,33)(H,31,32)