[4-methyl-2-oxidanylidene-8-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]chromen-7-yl] benzoate

Systemtic Name: [4-methyl-2-oxidanylidene-8-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]chromen-7-yl] benzoate Openeye Name: [8-[[4-[(E)-cinnamyl]piperazin-1-yl]methyl]-4-methyl-2-oxo-chromen-7-yl] benzoate CAS Name: benzoic acid [4-methyl-2-oxo-8-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-1-benzopyran-7-yl] ester IUPAC Name: [4-methyl-2-oxo-8-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]chromen-7-yl] benzoate Traditional Name: benzoic acid [8-[[4-[(E)-cinnamyl]piperazino]methyl]-2-keto-4-methyl-chromen-7-yl] ester Formula: C31H30N2O4 MolecularWeight: 494.5809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2CN3CCN(CC3)CC=CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2CN3CCN(CC3)C/C=C/C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H30N2O4/c1-23-21-29(34)37-30-26(23)14-15-28(36-31(35)25-12-6-3-7-13-25)27(30)22-33-19-17-32(18-20-33)16-8-11-24-9-4-2-5-10-24/h2-15,21H,16-20,22H2,1H3/b11-8+