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

Systemtic Name: methyl 3-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamoyl]piperidine-1-carboxylate Openeye Name: methyl 3-[(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-oxomethyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)carbamoyl]piperidine-1-carboxylic acid methyl ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)C3CCCN(C3)C(=O)OC)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)C3CCCN(C3)C(=O)OC)O)C

InChI

InChI=1S/C20H25N3O5/c1-20(2)17(24)16(14-9-12(10-21)6-7-15(14)28-20)22-18(25)13-5-4-8-23(11-13)19(26)27-3/h6-7,9,13,16-17,24H,4-5,8,11H2,1-3H3,(H,22,25)