(phenylmethyl) 4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)piperidine-1-carboxylate Openeye Name: benzyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)piperidine-1-carboxylate CAS Name: 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)piperidine-1-carboxylate Traditional Name: 4-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)piperidine-1-carboxylic acid benzyl ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3CCN(CC3)C(=O)OCC4=CC=CC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3CCN(CC3)C(=O)OCC4=CC=CC=C4)C(=O)C1)C

InChI

InChI=1S/C25H29N3O4/c1-25(2)12-19(29)22-20(13-25)32-23(27)18(14-26)21(22)17-8-10-28(11-9-17)24(30)31-15-16-6-4-3-5-7-16/h3-7,17,21H,8-13,15,27H2,1-2H3