2,3-bis(oxidanyl)propanal; N-methyl-N-phenethyl-3,4-dihydro-2H-chromen-6-amine

Systemtic Name: 2,3-bis(oxidanyl)propanal; N-methyl-N-phenethyl-3,4-dihydro-2H-chromen-6-amine Openeye Name: 2,3-dihydroxypropanal; N-methyl-N-phenethyl-chroman-6-amine CAS Name: 2,3-dihydroxypropanal; N-methyl-N-phenethyl-3,4-dihydro-2H-1-benzopyran-6-amine IUPAC Name: 2,3-dihydroxypropanal; N-methyl-N-phenethyl-3,4-dihydro-2H-chromen-6-amine Traditional Name: chroman-6-yl-methyl-phenethyl-amine; 2,3-dihydroxypropionaldehyde Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2=CC3=C(C=C2)OCCC3.C(C(C=O)O)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)C2=CC3=C(C=C2)OCCC3.C(C(C=O)O)O

InChI

InChI=1S/C18H21NO.C3H6O3/c1-19(12-11-15-6-3-2-4-7-15)17-9-10-18-16(14-17)8-5-13-20-18;4-1-3(6)2-5/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3;1,3,5-6H,2H2