(phenylmethyl) 2-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamoyl]piperidine-1-carboxylate Openeye Name: benzyl 2-[(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)carbamoyl]piperidine-1-carboxylate CAS Name: 2-[[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-oxomethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamoyl]piperidine-1-carboxylate Traditional Name: 2-[(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)carbamoyl]piperidine-1-carboxylic acid benzyl ester Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)C3CCCCN3C(=O)OCC4=CC=CC=C4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)C3CCCCN3C(=O)OCC4=CC=CC=C4)O)C

InChI

InChI=1S/C26H29N3O5/c1-26(2)23(30)22(19-14-18(15-27)11-12-21(19)34-26)28-24(31)20-10-6-7-13-29(20)25(32)33-16-17-8-4-3-5-9-17/h3-5,8-9,11-12,14,20,22-23,30H,6-7,10,13,16H2,1-2H3,(H,28,31)