N-[[3-bromanyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-4-ethoxy-aniline

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-4-ethoxy-aniline Openeye Name: N-[[3-bromo-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl]-4-ethoxy-aniline CAS Name: N-[[3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-4-ethoxyaniline IUPAC Name: N-[[3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-4-ethoxyaniline Traditional Name: [3-bromo-5-methoxy-4-(2-thenyloxy)benzyl]-p-phenetyl-amine Formula: C21H22BrNO3S MolecularWeight: 448.37328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)Br)OCC3=CC=CS3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)Br)OCC3=CC=CS3)OC

InChI

InChI=1S/C21H22BrNO3S/c1-3-25-17-8-6-16(7-9-17)23-13-15-11-19(22)21(20(12-15)24-2)26-14-18-5-4-10-27-18/h4-12,23H,3,13-14H2,1-2H3