(E)-3-[2-(phenylmethoxycarbonylaminomethyl)-3,4-dihydro-2H-chromen-6-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(phenylmethoxycarbonylaminomethyl)-3,4-dihydro-2H-chromen-6-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-(benzyloxycarbonylaminomethyl)chroman-6-yl]prop-2-enoic acid CAS Name: (E)-3-[2-(phenylmethoxycarbonylaminomethyl)-3,4-dihydro-2H-1-benzopyran-6-yl]-2-propenoic acid IUPAC Name: (E)-3-[2-(phenylmethoxycarbonylaminomethyl)-3,4-dihydro-2H-chromen-6-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(benzyloxycarbonylaminomethyl)chroman-6-yl]acrylic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C=CC(=O)O)OC1CNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC2=C(C=CC(=C2)/C=C/C(=O)O)OC1CNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21NO5/c23-20(24)11-7-15-6-10-19-17(12-15)8-9-18(27-19)13-22-21(25)26-14-16-4-2-1-3-5-16/h1-7,10-12,18H,8-9,13-14H2,(H,22,25)(H,23,24)/b11-7+