5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid

Systemtic Name: 5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid Openeye Name: 5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid CAS Name: 5-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-2-[(4-methoxyphenyl)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid Traditional Name: 5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-p-anisyl-pyrazole-3-carboxylic acid Formula: C27H23N3O5 MolecularWeight: 469.48862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=CC(=N2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=CC(=N2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O

InChI

InChI=1S/C27H23N3O5/c1-34-18-12-10-17(11-13-18)15-30-24(26(31)32)14-25(29-30)28-27(33)35-16-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-14,23H,15-16H2,1H3,(H,31,32)(H,28,29,33)