N-[(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methyl]-1-phenyl-ethanamine

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methyl]-1-phenyl-ethanamine Openeye Name: N-[(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methyl]-1-phenyl-ethanamine CAS Name: N-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methyl]-1-phenylethanamine IUPAC Name: N-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methyl]-1-phenylethanamine Traditional Name: (3-bromo-5-ethoxy-4-propargyloxy-benzyl)-(1-phenylethyl)amine Formula: C20H22BrNO2 MolecularWeight: 388.29818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC(C)C2=CC=CC=C2)Br)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC(C)C2=CC=CC=C2)Br)OCC#C

InChI

InChI=1S/C20H22BrNO2/c1-4-11-24-20-18(21)12-16(13-19(20)23-5-2)14-22-15(3)17-9-7-6-8-10-17/h1,6-10,12-13,15,22H,5,11,14H2,2-3H3