(E)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide Openeye Name: (E)-N-(isochroman-1-ylmethyl)-3-(4-isopropoxyphenyl)prop-2-enamide CAS Name: (E)-N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-3-(4-propan-2-yloxyphenyl)-2-propenamide IUPAC Name: (E)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide Traditional Name: (E)-N-(isochroman-1-ylmethyl)-3-(4-isopropoxyphenyl)acrylamide Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C=CC(=O)NCC2C3=CC=CC=C3CCO2

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)/C=C/C(=O)NCC2C3=CC=CC=C3CCO2

InChI

InChI=1S/C22H25NO3/c1-16(2)26-19-10-7-17(8-11-19)9-12-22(24)23-15-21-20-6-4-3-5-18(20)13-14-25-21/h3-12,16,21H,13-15H2,1-2H3,(H,23,24)/b12-9+