ethyl 1-phenyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-1H-benzo[f]chromene-2-carboxylate

Systemtic Name: ethyl 1-phenyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-1H-benzo[f]chromene-2-carboxylate Openeye Name: ethyl 1-phenyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-1H-benzo[f]chromene-2-carboxylate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-1-phenyl-1H-benzo[f][1]benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-phenyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-1H-benzo[f]chromene-2-carboxylate Traditional Name: 1-phenyl-3-[[(E)-3-phenylacryloyl]amino]-1H-benzo[f]chromene-2-carboxylic acid ethyl ester Formula: C31H25NO4 MolecularWeight: 475.5345

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3)C4=CC=CC=C4C=C2)NC(=O)C=CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3)C4=CC=CC=C4C=C2)NC(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C31H25NO4/c1-2-35-31(34)29-27(23-14-7-4-8-15-23)28-24-16-10-9-13-22(24)18-19-25(28)36-30(29)32-26(33)20-17-21-11-5-3-6-12-21/h3-20,27H,2H2,1H3,(H,32,33)/b20-17+