6-[(2-bromophenyl)methyl-ethyl-amino]-5-prop-2-enyl-chromen-2-one

Systemtic Name: 6-[(2-bromophenyl)methyl-ethyl-amino]-5-prop-2-enyl-chromen-2-one Openeye Name: 5-allyl-6-[(2-bromophenyl)methyl-ethyl-amino]chromen-2-one CAS Name: 6-[(2-bromophenyl)methyl-ethylamino]-5-prop-2-enyl-1-benzopyran-2-one IUPAC Name: 6-[(2-bromophenyl)methyl-ethylamino]-5-prop-2-enylchromen-2-one Traditional Name: 5-allyl-6-[(2-bromobenzyl)-ethyl-amino]coumarin Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1Br)C2=C(C3=C(C=C2)OC(=O)C=C3)CC=C

Isomeric SMILES

CCN(CC1=CC=CC=C1Br)C2=C(C3=C(C=C2)OC(=O)C=C3)CC=C

InChI

InChI=1S/C21H20BrNO2/c1-3-7-16-17-10-13-21(24)25-20(17)12-11-19(16)23(4-2)14-15-8-5-6-9-18(15)22/h3,5-6,8-13H,1,4,7,14H2,2H3