6-(2-ethylbutyl)-4-[[(E)-3-phenylprop-2-enyl]-piperidin-4-yl-amino]chromen-2-one

Systemtic Name: 6-(2-ethylbutyl)-4-[[(E)-3-phenylprop-2-enyl]-piperidin-4-yl-amino]chromen-2-one Openeye Name: 4-[[(E)-cinnamyl]-(4-piperidyl)amino]-6-(2-ethylbutyl)chromen-2-one CAS Name: 6-(2-ethylbutyl)-4-[[(E)-3-phenylprop-2-enyl]-(4-piperidinyl)amino]-1-benzopyran-2-one IUPAC Name: 6-(2-ethylbutyl)-4-[[(E)-3-phenylprop-2-enyl]-piperidin-4-ylamino]chromen-2-one Traditional Name: 4-[[(E)-cinnamyl]-(4-piperidyl)amino]-6-(2-ethylbutyl)coumarin Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC1=CC2=C(C=C1)OC(=O)C=C2N(CC=CC3=CC=CC=C3)C4CCNCC4

Isomeric SMILES

CCC(CC)CC1=CC2=C(C=C1)OC(=O)C=C2N(C/C=C/C3=CC=CC=C3)C4CCNCC4

InChI

InChI=1S/C29H36N2O2/c1-3-22(4-2)19-24-12-13-28-26(20-24)27(21-29(32)33-28)31(25-14-16-30-17-15-25)18-8-11-23-9-6-5-7-10-23/h5-13,20-22,25,30H,3-4,14-19H2,1-2H3/b11-8+