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

Systemtic Name: 6-(3-methylbutyl)-4-[[(E)-3-phenylprop-2-enyl]-piperidin-4-yl-amino]chromen-2-one Openeye Name: 4-[[(E)-cinnamyl]-(4-piperidyl)amino]-6-isopentyl-chromen-2-one CAS Name: 6-(3-methylbutyl)-4-[[(E)-3-phenylprop-2-enyl]-(4-piperidinyl)amino]-1-benzopyran-2-one IUPAC Name: 6-(3-methylbutyl)-4-[[(E)-3-phenylprop-2-enyl]-piperidin-4-ylamino]chromen-2-one Traditional Name: 4-[[(E)-cinnamyl]-(4-piperidyl)amino]-6-isoamyl-coumarin Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC2=C(C=C1)OC(=O)C=C2N(CC=CC3=CC=CC=C3)C4CCNCC4

Isomeric SMILES

CC(C)CCC1=CC2=C(C=C1)OC(=O)C=C2N(C/C=C/C3=CC=CC=C3)C4CCNCC4

InChI

InChI=1S/C28H34N2O2/c1-21(2)10-11-23-12-13-27-25(19-23)26(20-28(31)32-27)30(24-14-16-29-17-15-24)18-6-9-22-7-4-3-5-8-22/h3-9,12-13,19-21,24,29H,10-11,14-18H2,1-2H3/b9-6+