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

Systemtic Name: N-[cyano-(4-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxy-phenyl)propanamide Openeye Name: N-[cyano(p-tolyl)methyl]-3-(3-methoxy-4-prop-2-ynoxy-phenyl)propanamide CAS Name: N-[cyano-(4-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide IUPAC Name: N-[cyano-(4-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide Traditional Name: N-[cyano(p-tolyl)methyl]-3-(3-methoxy-4-propargyloxy-phenyl)propionamide Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C#N)NC(=O)CCC2=CC(=C(C=C2)OCC#C)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(C#N)NC(=O)CCC2=CC(=C(C=C2)OCC#C)OC

InChI

InChI=1S/C22H22N2O3/c1-4-13-27-20-11-7-17(14-21(20)26-3)8-12-22(25)24-19(15-23)18-9-5-16(2)6-10-18/h1,5-7,9-11,14,19H,8,12-13H2,2-3H3,(H,24,25)