3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide Openeye Name: 3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-N-[4-(1-piperidyl)phenyl]prop-2-enamide CAS Name: 3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-[4-(1-piperidinyl)phenyl]-2-propenamide IUPAC Name: 3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide Traditional Name: 3-(4-benzoxy-3-bromo-5-methoxy-phenyl)-N-(4-piperidinophenyl)acrylamide Formula: C28H29BrN2O3 MolecularWeight: 521.44546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)NC2=CC=C(C=C2)N3CCCCC3)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)NC2=CC=C(C=C2)N3CCCCC3)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C28H29BrN2O3/c1-33-26-19-22(18-25(29)28(26)34-20-21-8-4-2-5-9-21)10-15-27(32)30-23-11-13-24(14-12-23)31-16-6-3-7-17-31/h2,4-5,8-15,18-19H,3,6-7,16-17,20H2,1H3,(H,30,32)