9H-fluoren-9-ylmethyl (2S)-2-cyano-5-[di(propan-2-yl)carbamoyl]-2H-pyridine-1-carboxylate

Systemtic Name: 9H-fluoren-9-ylmethyl (2S)-2-cyano-5-[di(propan-2-yl)carbamoyl]-2H-pyridine-1-carboxylate Openeye Name: 9H-fluoren-9-ylmethyl (2S)-2-cyano-5-(diisopropylcarbamoyl)-2H-pyridine-1-carboxylate CAS Name: (2S)-2-cyano-5-[[di(propan-2-yl)amino]-oxomethyl]-2H-pyridine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl (2S)-2-cyano-5-[di(propan-2-yl)carbamoyl]-2H-pyridine-1-carboxylate Traditional Name: (2S)-2-cyano-5-(diisopropylcarbamoyl)-2H-pyridine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C1=CN(C(C=C1)C#N)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C1=CN([C@@H](C=C1)C#N)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C28H29N3O3/c1-18(2)31(19(3)4)27(32)20-13-14-21(15-29)30(16-20)28(33)34-17-26-24-11-7-5-9-22(24)23-10-6-8-12-25(23)26/h5-14,16,18-19,21,26H,17H2,1-4H3/t21-/m0/s1