tert-butyl (E)-3-[2-(phenylmethoxycarbonylaminomethyl)-3,4-dihydro-2H-chromen-6-yl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[2-(phenylmethoxycarbonylaminomethyl)-3,4-dihydro-2H-chromen-6-yl]prop-2-enoate Openeye Name: tert-butyl (E)-3-[2-(benzyloxycarbonylaminomethyl)chroman-6-yl]prop-2-enoate CAS Name: (E)-3-[2-(phenylmethoxycarbonylaminomethyl)-3,4-dihydro-2H-1-benzopyran-6-yl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-[2-(phenylmethoxycarbonylaminomethyl)-3,4-dihydro-2H-chromen-6-yl]prop-2-enoate Traditional Name: (E)-3-[2-(benzyloxycarbonylaminomethyl)chroman-6-yl]acrylic acid tert-butyl ester Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CC1=CC2=C(C=C1)OC(CC2)CNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/C1=CC2=C(C=C1)OC(CC2)CNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H29NO5/c1-25(2,3)31-23(27)14-10-18-9-13-22-20(15-18)11-12-21(30-22)16-26-24(28)29-17-19-7-5-4-6-8-19/h4-10,13-15,21H,11-12,16-17H2,1-3H3,(H,26,28)/b14-10+