N-[(4-bromophenyl)-cyano-methyl]-3-(3-methoxy-4-prop-2-ynoxy-phenyl)propanamide

Systemtic Name: N-[(4-bromophenyl)-cyano-methyl]-3-(3-methoxy-4-prop-2-ynoxy-phenyl)propanamide Openeye Name: N-[(4-bromophenyl)-cyano-methyl]-3-(3-methoxy-4-prop-2-ynoxy-phenyl)propanamide CAS Name: N-[(4-bromophenyl)-cyanomethyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide IUPAC Name: N-[(4-bromophenyl)-cyanomethyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide Traditional Name: N-[(4-bromophenyl)-cyano-methyl]-3-(3-methoxy-4-propargyloxy-phenyl)propionamide Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)NC(C#N)C2=CC=C(C=C2)Br)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=O)NC(C#N)C2=CC=C(C=C2)Br)OCC#C

InChI

InChI=1S/C21H19BrN2O3/c1-3-12-27-19-10-4-15(13-20(19)26-2)5-11-21(25)24-18(14-23)16-6-8-17(22)9-7-16/h1,4,6-10,13,18H,5,11-12H2,2H3,(H,24,25)