2-methylpropyl 4-[3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoylamino]benzoate Openeye Name: isobutyl 4-[3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)prop-2-enoylamino]benzoate CAS Name: 4-[[3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoylamino]benzoate Traditional Name: 4-[[3-(4-benzoxy-3-bromo-5-methoxy-phenyl)acryloyl]amino]benzoic acid isobutyl ester Formula: C28H28BrNO5 MolecularWeight: 538.42962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28BrNO5/c1-19(2)17-35-28(32)22-10-12-23(13-11-22)30-26(31)14-9-21-15-24(29)27(25(16-21)33-3)34-18-20-7-5-4-6-8-20/h4-16,19H,17-18H2,1-3H3,(H,30,31)