hexyl 4-[[(E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: hexyl 4-[[(E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: hexyl 4-[[(E)-3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[(E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-benzoxy-3-bromo-5-methoxy-phenyl)acryloyl]amino]benzoic acid hexyl ester Formula: C30H32BrNO5 MolecularWeight: 566.48278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C30H32BrNO5/c1-3-4-5-9-18-36-30(34)24-13-15-25(16-14-24)32-28(33)17-12-23-19-26(31)29(27(20-23)35-2)37-21-22-10-7-6-8-11-22/h6-8,10-17,19-20H,3-5,9,18,21H2,1-2H3,(H,32,33)/b17-12+