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

Systemtic Name: pentyl 4-[[(E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C29H30BrNO5 MolecularWeight: 552.4562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30BrNO5/c1-3-4-8-17-35-29(33)23-12-14-24(15-13-23)31-27(32)16-11-22-18-25(30)28(26(19-22)34-2)36-20-21-9-6-5-7-10-21/h5-7,9-16,18-19H,3-4,8,17,20H2,1-2H3,(H,31,32)/b16-11+