tert-butyl 2-[[(3R,4S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-(phenylmethyl)amino]ethanoate

Systemtic Name: tert-butyl 2-[[(3R,4S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-(phenylmethyl)amino]ethanoate Openeye Name: tert-butyl 2-[benzyl-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]amino]acetate CAS Name: 2-[[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-(phenylmethyl)amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[benzyl-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]amino]acetate Traditional Name: 2-[benzyl-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]amino]acetic acid tert-butyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC3=CC=CC=C3)CC(=O)OC(C)(C)C)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)N(CC3=CC=CC=C3)CC(=O)OC(C)(C)C)O)C

InChI

InChI=1S/C25H30N2O4/c1-24(2,3)31-21(28)16-27(15-17-9-7-6-8-10-17)22-19-13-18(14-26)11-12-20(19)30-25(4,5)23(22)29/h6-13,22-23,29H,15-16H2,1-5H3/t22-,23+/m0/s1